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Details

Stereochemistry ACHIRAL
Molecular Formula C3H3NS
Molecular Weight 85.128
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOTHIAZOLE

SMILES

S1C=CC=N1

InChI

InChIKey=ZLTPDFXIESTBQG-UHFFFAOYSA-N
InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3H

HIDE SMILES / InChI

Molecular Formula C3H3NS
Molecular Weight 85.128
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Bioactivation of isothiazoles: minimizing the risk of potential toxicity in drug discovery.
2010-11-15
In silico exploration for identifying structure-activity relationship of MEK inhibition and oral bioavailability for isothiazole derivatives.
2010-11
Ligand-exchange processes on solvated zinc cations: water exchange on [Zn(H2O)4(L)]2+.2H2O (L=heterocyclic ligand).
2010-06-25
Novel derivatives of 1,3,4-oxadiazoles are potent mitostatic agents featuring strong microtubule depolymerizing activity in the sea urchin embryo and cell culture assays.
2010-05
Synthesis and immunomodulatory activites of new 5-hydrazino-3-methyl-4-isothiazolecarboxylic acid ethyl esters.
2009-11-10
Synthesis and pharmacological evaluation of thiazole and isothiazole derived apomorphines.
2009-10
Synthesis of novel vanillin derivatives containing isothiazole moieties and its synergistic effect in mixtures with insecticides.
2009-09
New amides of 5-(4-chlorobenzoyl)aminoorotic acid: their synthesis and biological activity.
2008-11
Efficient synthesis and utilization of phenyl-substituted heteroaromatic carboxylic acids as aryl diketo acid isosteres in the design of novel HIV-1 integrase inhibitors.
2008-08-15
New derivatives of 5-amino-3-methyl-4-isothiazolecarboxylic acid and their immunological activity.
2007-08-19
Synthesis and pharmacology of glutamate receptor ligands: new isothiazole analogues of ibotenic acid.
2007-02-07
Isothiazole derivatives as antiviral agents.
2007
New regiospecific isothiazole C-C coupling chemistry.
2006-10-07
Discovery of novel isothiazole inhibitors of the TrkA kinase: structure-activity relationship, computer modeling, optimization, and identification of highly potent antagonists.
2006-07-01
New isothiazole derivatives: synthesis, reactivity, physicochemical properties and pharmacological activity.
2006-07
Isothiazole dioxide derivative 6n inhibits vascular smooth muscle cell proliferation and protein farnesylation.
2005-12-05
Isothiazole derivatives as novel HIV replication inhibitors.
2004-07
Ibotenic acid and thioibotenic acid: a remarkable difference in activity at group III metabotropic glutamate receptors.
2004-02-23
Pharmacological characterization of CP-547,632, a novel vascular endothelial growth factor receptor-2 tyrosine kinase inhibitor for cancer therapy.
2003-11-01
Regiospecific Suzuki coupling of 3,5-dichloroisothiazole-4-carbonitrile.
2003-08-21
Novel synthesis and reactions of 5,7-dialkyl-4,6-dioxo-4,5,6,7-tetrahydro- isothiazolo[3,4,-d]pyrimidine-3-carbonitriles and 6-methyl-4-oxo-4H-1-aza-5-oxa-2- thiaindene-3-carbonitrile.
2003-02-20
[Biological activity of the isothiazole derivatives].
2003
[Synthesis and monolayer behaviors of 4-methyl-5-hydroxy-ethyl isothiazole stearic ester].
2002-12
Isothiazole dioxides: synthesis and inhibition of Trypanosoma brucei protein farnesyltransferase.
2002-08-19
Synthesis of new 3-methylthio-5-aryl-4-isothiazolecarbonitriles with broad antiviral spectrum.
2002-08
Efficient synthesis of fused isothiazolo C-nucleosides. III. Synthesis of substituted isothiazol.
2001-03
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:51:13 GMT 2025
Edited
by admin
on Mon Mar 31 19:51:13 GMT 2025
Record UNII
38FAO14250
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOTHIAZOLE
Preferred Name English
Code System Code Type Description
CAS
288-16-4
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
PRIMARY
PUBCHEM
67515
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
PRIMARY
FDA UNII
38FAO14250
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
PRIMARY
CHEBI
35600
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
PRIMARY
RXCUI
1495075
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
PRIMARY RxNorm
EPA CompTox
DTXSID90182980
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
PRIMARY
WIKIPEDIA
ISOTHIAZOLE
Created by admin on Mon Mar 31 19:51:13 GMT 2025 , Edited by admin on Mon Mar 31 19:51:13 GMT 2025
PRIMARY