Molecule ID: 17756752

IUPAC Name: 2-(1H-indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Description: The molecule is a monocarboxylic acid, a member of indoles, a member of 1,3-thiazoles and an imidothioate. It derives from a camalexin.

SMILES: O=C(O)C1CSC(c2c[nH]c3ccccc23)=N1

SELFIES: [O][=C][Branch1][C][O][C][C][S][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring1][=C]

InChI: InChI=1S/C12H10N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10,13H,6H2,(H,15,16)

Molecular Properties:
- Polar Surface Area: 90.8 Ų
- LogP: 1.9