Molecule ID: 8681

IUPAC Name: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;chloride

Description: The molecule is a organic chloride salt having oxythiamine as the counterion. It has a role as an antimetabolite and a vitamin B1 antagonist. It contains an oxythiamine(1+).

SMILES: Cc1ncc(C[n+]2csc(CCO)c2C)c([O-])n1.Cl

SELFIES: [C][C][=N][C][=C][Branch1][#C][C][N+1][=C][S][C][Branch1][Ring2][C][C][O][=C][Ring1][Branch2][C][C][Branch1][C][O-1][=N][Ring1][P].[Cl]

InChI: InChI=1S/C12H15N3O2S.ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;/h5,7,16H,3-4,6H2,1-2H3;1H

Molecular Properties:
- Polar Surface Area: 93.8 Ų
- LogP: nan