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

C20H16ClN3OS — CID 135589567

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

2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (PubChem CID 135589567) has the molecular formula C20H16ClN3OS and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
• PubChem CID: 135589567
• Molecular Formula: C20H16ClN3OS
• Molecular Weight: 381.89 g/mol
• Exact Mass: 381.07
• IUPAC Name: 2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
• SMILES: CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1cccc(Cl)c1
• InChI: InChI=1S/C20H16ClN3OS/c1-2-24-19(25)18(10-13-12-22-17-9-4-3-8-16(13)17)26-20(24)23-15-7-5-6-14(21)11-15/h3-12,25H,2H2,1H3/b13-10+,23-20+
• InChIKey: MFVJUIZQMHRLTF-ZYLLYBPESA-N
• XLogP: 5.42
• TPSA: 49.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.89
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol (CID 135589567) is 2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol.

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

The canonical SMILES for 2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is CCn1c(O)c(/C=C2\C=Nc3ccccc32)s/c1=N/c1cccc(Cl)c1.

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

The InChIKey is MFVJUIZQMHRLTF-ZYLLYBPESA-N. The full InChI is InChI=1S/C20H16ClN3OS/c1-2-24-19(25)18(10-13-12-22-17-9-4-3-8-16(13)17)26-20(24)23-15-7-5-6-14(21)11-15/h3-12,25H,2H2,1H3/b13-10+,23-20+.

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

2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol has a molecular weight of 381.89 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)imino-3-ethyl-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 135589567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).