Molecule ID: 53477655

IUPAC Name: (2R,5Z)-4-methyl-5-(2-phosphonooxyethylidene)-2H-1,3-thiazole-2-carboxylic acid

Description: The molecule is a 2,5-dihydro-1,3-thiazole carrying carboxy-, methyl- and (2-phosphonooxy)ethylidene-substituents at positions 2, 4 and 5 respectively. It has a role as a bacterial metabolite. It is a member of 1,3-thiazoles, a monocarboxylic acid, a phosphate monoester and an olefinic compound.

SMILES: CC1=N[C@@H](C(=O)O)S/C1=C\COP(=O)(O)O

SELFIES: [C][C][=N][C@@H1][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/h2,6H,3H2,1H3,(H,9,10)(H2,11,12,13)/b5-2-/t6-/m1/s1

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: -1.2