4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine

C24H18ClN3S — CID 93005804

About 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine (PubChem CID 93005804) has the molecular formula C24H18ClN3S and a molecular weight of 415.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
• PubChem CID: 93005804
• Molecular Formula: C24H18ClN3S
• Molecular Weight: 415.95 g/mol
• Exact Mass: 415.09
• IUPAC Name: 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine
• SMILES: Clc1ccc(-c2nc(N/N=C\C=C\c3ccccc3)sc2-c2ccccc2)cc1
• InChI: InChI=1S/C24H18ClN3S/c25-21-15-13-19(14-16-21)22-23(20-11-5-2-6-12-20)29-24(27-22)28-26-17-7-10-18-8-3-1-4-9-18/h1-17H,(H,27,28)/b10-7+,26-17-
• InChIKey: GXGSOKGIDNTLDT-JXJIOSSYSA-N
• XLogP: 7.24
• TPSA: 37.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.95
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?

The IUPAC name of 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine (CID 93005804) is 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine is Clc1ccc(-c2nc(N/N=C\C=C\c3ccccc3)sc2-c2ccccc2)cc1.

What is the InChIKey of 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?

The InChIKey is GXGSOKGIDNTLDT-JXJIOSSYSA-N. The full InChI is InChI=1S/C24H18ClN3S/c25-21-15-13-19(14-16-21)22-23(20-11-5-2-6-12-20)29-24(27-22)28-26-17-7-10-18-8-3-1-4-9-18/h1-17H,(H,27,28)/b10-7+,26-17-.

What are the key properties of 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine?

4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine has a molecular weight of 415.95 g/mol, XLogP of 7.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenyl)-5-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-2-amine is sourced from PubChem (CID 93005804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).