[3H]thiamine

Ligand Id: 4628
Ligand name [3H]thiamine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 104.15
Molecular weight 265.11
XLogP 0.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
IUPAC Name
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
Synonyms
[3H]-thiamine
[3H]vitamin B1
Database Links
Search Google for chemical match using the InChIKey JZRWCGZRTZMZEH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JZRWCGZRTZMZEH