U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H15NO2S
Molecular Weight 249.329
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TG-003

SMILES

CCN1\C(SC2=C1C=C(OC)C=C2)=C\C(C)=O

InChI

InChIKey=BGVLELSCIHASRV-QPEQYQDCSA-N
InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-

HIDE SMILES / InChI

Molecular Formula C13H15NO2S
Molecular Weight 249.329
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:15:21 UTC 2023
Edited
by admin
on Sat Dec 16 18:15:21 UTC 2023
Record UNII
KPC5K8BPP7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TG-003
Code English
TG003
Code English
(Z)-1-(3-ethyl-5-methoxybenzo[d]thiazol-2(3H)-ylidene)propan-2-one
Systematic Name English
(1Z)-1-(3-ETHYL-5-METHOXY-2(3H)-BENZOTHIAZOLYLIDENE)-2-PROPANONE
Systematic Name English
2-PROPANONE, 1-(3-ETHYL-5-METHOXY-2(3H)-BENZOTHIAZOLYLIDENE)-, (1Z)-
Systematic Name English
Code System Code Type Description
CAS
719277-26-6
Created by admin on Sat Dec 16 18:15:21 UTC 2023 , Edited by admin on Sat Dec 16 18:15:21 UTC 2023
PRIMARY
PUBCHEM
1893668
Created by admin on Sat Dec 16 18:15:21 UTC 2023 , Edited by admin on Sat Dec 16 18:15:21 UTC 2023
PRIMARY
FDA UNII
KPC5K8BPP7
Created by admin on Sat Dec 16 18:15:21 UTC 2023 , Edited by admin on Sat Dec 16 18:15:21 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR