THIAMIN
PubChem ID
1130
Chemical Name
THIAMIN
Molecular Formula
C12H17N4OS+
Canonical SMILES
CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO
IUPAC Name
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Molecular Weight
265.355 g/mol
XLogP
1
Rotatable Bond Count
4
Lipinsky's Rule of Five
Yes
Sources
Cardamom, Turmeric
