Molecule ID: 11160579

IUPAC Name: 2-(6-methoxy-1H-indol-3-yl)-1,3-thiazole

Description: The molecule is an indole phytoalexin that is camalexin in which the hydrogen at position 6 on the indole fragment has been replaced by a methoxy group. It has a role as an Arabidopsis thaliana metabolite. It is an aromatic ether, a member of 1,3-thiazoles and an indole phytoalexin. It derives from a camalexin.

SMILES: COc1ccc2c(-c3nccs3)c[nH]c2c1

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

InChI: InChI=1S/C12H10N2OS/c1-15-8-2-3-9-10(7-14-11(9)6-8)12-13-4-5-16-12/h2-7,14H,1H3

Molecular Properties:
- Polar Surface Area: 66.2 Ų
- LogP: 2.7