3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol

C24H15Cl2N3OS — CID 135670347

About 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol

3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (PubChem CID 135670347) has the molecular formula C24H15Cl2N3OS and a molecular weight of 464.38 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
• PubChem CID: 135670347
• Molecular Formula: C24H15Cl2N3OS
• Molecular Weight: 464.38 g/mol
• Exact Mass: 463.03
• IUPAC Name: 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
• SMILES: Oc1c(/C=C2\C=Nc3ccccc32)s/c(=N\c2cccc(Cl)c2)n1-c1cccc(Cl)c1
• InChI: InChI=1S/C24H15Cl2N3OS/c25-16-5-3-7-18(12-16)28-24-29(19-8-4-6-17(26)13-19)23(30)22(31-24)11-15-14-27-21-10-2-1-9-20(15)21/h1-14,30H/b15-11+,28-24-
• InChIKey: RQEUWKPDWXQJFM-OZVFVQDYSA-N
• XLogP: 7.04
• TPSA: 49.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.38
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?

The IUPAC name of 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (CID 135670347) is 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.

What is the SMILES notation for 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?

The canonical SMILES for 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is Oc1c(/C=C2\C=Nc3ccccc32)s/c(=N\c2cccc(Cl)c2)n1-c1cccc(Cl)c1.

What is the InChIKey of 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?

The InChIKey is RQEUWKPDWXQJFM-OZVFVQDYSA-N. The full InChI is InChI=1S/C24H15Cl2N3OS/c25-16-5-3-7-18(12-16)28-24-29(19-8-4-6-17(26)13-19)23(30)22(31-24)11-15-14-27-21-10-2-1-9-20(15)21/h1-14,30H/b15-11+,28-24-.

What are the key properties of 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol?

3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol has a molecular weight of 464.38 g/mol, XLogP of 7.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 135670347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).