U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C14H19N4O2S
Molecular Weight 307.391
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 5-[2-(Acetyloxy)ethyl]-3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methylthiazolium

SMILES

CC(=O)OCCC1=C(C)[N+](CC2=CN=C(C)N=C2N)=CS1

InChI

InChIKey=PDUYVBMLHXYKCF-UHFFFAOYSA-N
InChI=1S/C14H19N4O2S/c1-9-13(4-5-20-11(3)19)21-8-18(9)7-12-6-16-10(2)17-14(12)15/h6,8H,4-5,7H2,1-3H3,(H2,15,16,17)/q+1

HIDE SMILES / InChI
Molecular Formula C14H19N4O2S
Molecular Weight 307.391
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Wed Apr 02 00:55:08 GMT 2025
Edited
by admin
on Wed Apr 02 00:55:08 GMT 2025
Record UNII
9949CS894K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETYLTHIAMINE
Preferred Name English
5-[2-(Acetyloxy)ethyl]-3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methylthiazolium
Systematic Name English
5-(2-(ACETYLOXY)ETHYL)-3-((4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Systematic Name English
Thiazolium, 5-[2-(acetyloxy)ethyl]-3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-
Systematic Name English
ACETYLTHIAMINE [EP]
Common Name English
THIAMINE NITRATE IMPURITY G [EP IMPURITY]
Common Name English
THIAMINE HYDROCHLORIDE IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
9949CS894K
Created by admin on Wed Apr 02 00:55:08 GMT 2025 , Edited by admin on Wed Apr 02 00:55:08 GMT 2025
PRIMARY
PUBCHEM
150631
Created by admin on Wed Apr 02 00:55:08 GMT 2025 , Edited by admin on Wed Apr 02 00:55:08 GMT 2025
PRIMARY
CAS
130967-52-1
Created by admin on Wed Apr 02 00:55:08 GMT 2025 , Edited by admin on Wed Apr 02 00:55:08 GMT 2025
PRIMARY
Related Record Type Details
Structure of 5-[2-(Acetyloxy)ethyl]-3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methylthiazolium
IONIC MOIETY
Related Record Type Details
Structure of THIAMINE MONONITRATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of THIAMINE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966