Molecule ID: 46942369

IUPAC Name: 4-methyl-5-(2-phosphonooxyethyl)-1,3-thiazole-2-carboxylic acid

Description: The molecule is 1,3-Thiazole substituted at C-2, -4 and -5 with carboxy, methyl and 2-(phosphonooxy)ethyl groups respectively. It is a member of 1,3-thiazoles and a monoalkyl phosphate. It is a conjugate acid of a 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate(3-).

SMILES: Cc1nc(C(=O)O)sc1CCOP(=O)(O)O

SELFIES: [C][C][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][C][=Ring1][Branch2][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/C7H10NO6PS/c1-4-5(2-3-14-15(11,12)13)16-6(8-4)7(9)10/h2-3H2,1H3,(H,9,10)(H2,11,12,13)

Molecular Properties:
- Polar Surface Area: 145.0 Ų
- LogP: -0.3