Molecule ID: 44590680

IUPAC Name: 4-chloro-6-[5-(4-ethoxyphenyl)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 monochlorobenzenes, an aromatic ether, a member of resorcinols and a member of thiadiazoles.

SMILES: CCOc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1

SELFIES: [C][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/C16H13ClN2O3S/c1-2-22-10-5-3-9(4-6-10)16-15(18-19-23-16)11-7-12(17)14(21)8-13(11)20/h3-8,20-21H,2H2,1H3

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: 4.0