BENZOTHIAZOLE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H5NS
Molecular Weight	135.186
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

S1C=NC2=C1C=CC=C2

InChI

InChIKey=IOJUPLGTWVMSFF-UHFFFAOYSA-N

InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

HIDE SMILES / InChI

Molecular Formula	C7H5NS
Molecular Weight	135.186
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Regioselectivity in the addition of vinylmagnesium bromide to heteroarylic ketones: C- versus O-alkylation.	2004-12-10	15575772
Fluorinated 2-(4-amino-3-methylphenyl)benzothiazoles induce CYP1A1 expression, become metabolized, and bind to macromolecules in sensitive human cancer cells.	2004-12	15355884
Activity of benzothiazoles and chemical derivatives on Plasmodium falciparum.	2004-11	15552398
[Investigation of the trichinellocidal activity of the agents from a series of benzthiazole and benzoxazole].	2004-10-16	15484980
Synthesis and evaluation of antitumor activity of 2- and 6-[(1,3-benzothiazol-2-yl)aminomethyl]-5,8-dimethoxy-1,4-naphthoquinone derivatives.	2004-09	15473656
Inactivation of triosephosphate isomerase from Trypanosoma cruzi by an agent that perturbs its dimer interface.	2004-08-27	15321726
[A novel deprotonative functionalization of aromatics with phosphazene base].	2004-08	15297720
Synthesis and antileishmanial activity of (1,3-benzothiazol-2-yl) amino-9-(10H)-acridinone derivatives.	2004-08	15276301
Density functional theory and ab initio studies of geometry, electronic structure and vibrational spectra of novel benzothiazole and benzotriazole herbicides.	2004-08	15249024
The efficiency of the benzothiazole APB, the echinocandin micafungin, and amphotericin B in fluconazole-resistant Candida albicans and Candida dubliniensis.	2004-07	15296100
Manipulation of alternative splicing by a newly developed inhibitor of Clks.	2004-06-04	15010457
A fission yeast strain expressing human CDC25A phosphatase: a tool for selectivity studies of pharmacological inhibitors of CDC25.	2004-05	14727060
Some fused heterocyclic compounds as eukaryotic topoisomerase II inhibitors.	2004-04-30	15063810
Inhibitory activities against topoisomerase I and II by polyhydroxybenzoyl amide derivatives and their structure-activity relationship.	2004-04-05	15026047
Synthesis, crystal structure and antiproliferative evaluation of some new substituted benzothiazoles and styrylbenzothiazoles.	2004-04	15081347
Synthesis and SAR of 2-arylbenzoxazoles, benzothiazoles and benzimidazoles as inhibitors of lysophosphatidic acid acyltransferase-beta.	2004-03-22	15006381
Synthesis and structure-activity relationships of new antimicrobial active multisubstituted benzazole derivatives.	2004-03	15051178
Evolution of beetle bioluminescence: the origin of beetle luciferin.	2004-02-26	14981641
Zapoteca formosa: sulfur chemistry and phytotoxicity.	2004-02	15112733
Strong protective action of Copper(II) N-substituted sulfonamide complexes against reactive oxygen species.	2004-02	14729299
Occurrence of benzothiazoles in municipal wastewater and their fate in biological treatment.	2004	15497849
Development of a PET/SPECT agent for amyloid imaging in Alzheimer's disease.	2004	15314250
Effects of coffee components on the response of GABA(A) receptors expressed in Xenopus oocytes.	2003-12-17	14664509
Iodinated tracers for imaging amyloid plaques in the brain.	2003-12-12	14667496
Synthesis and biological evaluation of benzo[d]isothiazole, benzothiazole and thiazole Schiff bases.	2003-11-03	14556794
Discovery of novel benzothiazolesulfonamides as potent inhibitors of HIV-1 protease.	2003-11-03	14556792
A new approach to the synthesis of benzothiazole, benzoxazole, and pyridine nucleosides as potential antitumor agents.	2003-11	14680028
Design and synthesis of pyrrolidine-5,5'-trans-lactams (5-oxo-hexahydropyrrolo[3,2-b]pyrroles) as novel mechanism-based inhibitors of human cytomegalovirus protease. 4. Antiviral activity and plasma stability.	2003-10-09	14521407
Synthesis and PDF inhibitory activities of novel benzothiazolylidenehydroxamic acid derivatives.	2003-10-06	12951107
Cobalt-catalyzed arylation of azole heteroarenes via direct C-H bond functionalization.	2003-10-02	14507184
2-Amino-1,3-benzothiazole-ethyl coumarin-3-carboxylate (1/1).	2003-10	14532665
ACD6, a novel ankyrin protein, is a regulator and an effector of salicylic acid signaling in the Arabidopsis defense response.	2003-10	14507999
PMHS-mediated couplings of alkynes or benzothiazoles with various electrophiles: application to the synthesis of (-)-akolactone A.	2003-08-22	12919047
Discovery of 2-amino-heteroaryl-benzothiazole-6-anilides as potent p56(lck) inhibitors.	2003-08-04	12852972
Synthesis of some new benzothiazole derivatives as potential antimicrobial and antiparasitic agents.	2003-08	12967026
Application of thin-layer chromatographic data in quantitative structure-activity relationship assay of thiazole and benzothiazole derivatives with H1-antihistamine activity. II.	2003-07-25	12924561
Application of thin-layer chromatographic data in quantitative structure-activity relationship assay of thiazole and benzothiazole derivatives with H1-antihistamine activity. I.	2003-07-25	12924560
Molecular design, synthesis, and structure-Activity relationships leading to the potent and selective p56(lck) inhibitor BMS-243117.	2003-07-07	12798323
Assessment of occupational health hazards in scrap-tire shredding facilities.	2003-06-20	12798090
Zinc complexes of benzothiazole-derived Schiff bases with antibacterial activity.	2003-06	14506917
Structure-activity relationships of 2-(benzothiazolylthio)acetamide class of CCR3 selective antagonist.	2003-06	12808249
Stereoselective synthesis of tetrasubstituted 2,3-dihydrofurans by one-step cyclization of beta-ketosulfides of benzothiazole and aldehydes in ionic liquids.	2003-05-30	12762744
Inhibition of UV-induced mutagenesis in Euglena gracilis by benzothiazole derivatives.	2003-05	12779061
Antitumor benzothiazoles. Frontier molecular orbital analysis predicts bioactivation of 2-(4-aminophenyl)benzothiazoles to reactive intermediates by cytochrome P4501A1.	2003-02-07	12926251
Kinetic study of reactions between ozone and benzothiazole in water.	2003	14753574
Mining the NCI screening database: explorations of agents involved in cell cycle regulation.	2003	14593711
Environmental impact of highway construction and repair materials on surface and ground waters. Case study: crumb rubber asphalt concrete.	2003	14522190
Effects of lipophilicity on the affinity and nonspecific binding of iodinated benzothiazole derivatives.	2003	14501005
Synthesis and HIV-1 reverse transcriptase inhibitor activity of some 2,5,6-substituted benzoxazole, benzimidazole, benzothiazole and oxazolo(4,5-b)pyridine derivatives.	2003	12785123
Glucose analog inhibitors of glycogen phosphorylases as potential antidiabetic agents: recent developments.	2003	12769745

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:47:20 GMT 2025` Edited by `admin` on `Mon Mar 31 18:47:20 GMT 2025`
Record UNII	G5BW2593EP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-8040

Preferred Name

English

BENZOTHIAZOLE

Systematic Name

English

FEMA NO. 3256

Code

English

1-THIA-3-AZAINDENE

Systematic Name

English

BENZOTHIAZOLE [HSDB]

Common Name

English

BENZOTHIAZOLE [FHFI]

Common Name

English

BENZOTHIAZOLE [MI]

Common Name

English

BENZOSULFONAZOLE

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

BENZOTHIAZOLE