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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16N4O2S
Molecular Weight 280.3476
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THIAMINE THIAZOLONE

SMILES

Cc1c(CCO)sc(=O)n1Cc2cnc(C)[nH]c2=N

InChI

InChIKey=VXCONGLPCAPYEU-UHFFFAOYSA-N
InChI=1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)

HIDE SMILES / InChI

Molecular Formula C12H16N4O2S
Molecular Weight 280.3476
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:14:41 UTC 2021
Edited
by admin
on Sat Jun 26 01:14:41 UTC 2021
Record UNII
X88Z903YTF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THIAMINE THIAZOLONE
Common Name English
THIAMINE NITRATE IMPURITY D [EP]
Common Name English
OXOTHIAMINE [EP]
Common Name English
3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIN-2-ONE
Systematic Name English
4-THIAZOLIN-2-ONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-
Systematic Name English
2(3H)-THIAZOLONE, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-
Systematic Name English
3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-(3H)-THIAZOLONE
Systematic Name English
OXOTHIAMINE
Common Name English
3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYL-1,3-THIAZOL-2(3H)-ONE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
207-719-0
Created by admin on Sat Jun 26 01:14:42 UTC 2021 , Edited by admin on Sat Jun 26 01:14:42 UTC 2021
PRIMARY
CAS
490-82-4
Created by admin on Sat Jun 26 01:14:42 UTC 2021 , Edited by admin on Sat Jun 26 01:14:42 UTC 2021
PRIMARY
FDA UNII
X88Z903YTF
Created by admin on Sat Jun 26 01:14:42 UTC 2021 , Edited by admin on Sat Jun 26 01:14:42 UTC 2021
PRIMARY
EPA CompTox
490-82-4
Created by admin on Sat Jun 26 01:14:42 UTC 2021 , Edited by admin on Sat Jun 26 01:14:42 UTC 2021
PRIMARY
PUBCHEM
120267
Created by admin on Sat Jun 26 01:14:42 UTC 2021 , Edited by admin on Sat Jun 26 01:14:42 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP