Molecule ID: 44468395

IUPAC Name: 4-chloro-6-[5-(4-methoxyphenyl)thiadiazol-4-yl]benzene-1,3-diol

Description: The molecule is a member of the class of thiadiazoles that is 1,2,3-thiadiazole substituted at positions 4 and 5 by 2,4-dihydroxy-4-chlorophenyl and 4-methoxyphenyl groups respectively. It has a role as a Hsp90 inhibitor. It is a member of thiadiazoles, a member of resorcinols, a member of monochlorobenzenes and a monomethoxybenzene.

SMILES: COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1

SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][S][N][=N][C][=Ring1][Branch1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C15H11ClN2O3S/c1-21-9-4-2-8(3-5-9)15-14(17-18-22-15)10-6-11(16)13(20)7-12(10)19/h2-7,19-20H,1H3

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 3.7