(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide

C30H21ClN2OS — CID 108770304

About (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide

(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide (PubChem CID 108770304) has the molecular formula C30H21ClN2OS and a molecular weight of 493.03 g/mol. Its IUPAC name is (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

• Compound Name: (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
• PubChem CID: 108770304
• Molecular Formula: C30H21ClN2OS
• Molecular Weight: 493.03 g/mol
• Exact Mass: 492.11
• IUPAC Name: (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
• SMILES: O=C(Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1)/C(=C\c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H21ClN2OS/c31-27-17-8-7-16-25(27)30-33-28(20-35-30)23-14-9-15-24(19-23)32-29(34)26(22-12-5-2-6-13-22)18-21-10-3-1-4-11-21/h1-20H,(H,32,34)/b26-18-
• InChIKey: NMRKOLFDBIVZBO-ITYLOYPMSA-N
• XLogP: 8.31
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.03
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide?

The IUPAC name of (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide (CID 108770304) is (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide.

What is the SMILES notation for (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide?

The canonical SMILES for (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide is O=C(Nc1cccc(-c2csc(-c3ccccc3Cl)n2)c1)/C(=C\c1ccccc1)c1ccccc1.

What is the InChIKey of (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide?

The InChIKey is NMRKOLFDBIVZBO-ITYLOYPMSA-N. The full InChI is InChI=1S/C30H21ClN2OS/c31-27-17-8-7-16-25(27)30-33-28(20-35-30)23-14-9-15-24(19-23)32-29(34)26(22-12-5-2-6-13-22)18-21-10-3-1-4-11-21/h1-20H,(H,32,34)/b26-18-.

What are the key properties of (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide?

(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide has a molecular weight of 493.03 g/mol, XLogP of 8.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 108770304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).