N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

C22H13Cl3N2O2S — CID 3510241

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 3510241) has the molecular formula C22H13Cl3N2O2S and a molecular weight of 475.78 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
• PubChem CID: 3510241
• Molecular Formula: C22H13Cl3N2O2S
• Molecular Weight: 475.78 g/mol
• Exact Mass: 473.98
• IUPAC Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
• SMILES: O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)Nc1nc(-c2ccc(Cl)cc2)cs1
• InChI: InChI=1S/C22H13Cl3N2O2S/c23-14-6-4-13(5-7-14)18-12-30-22(26-18)27-20(28)11-9-15-8-10-19(29-15)16-2-1-3-17(24)21(16)25/h1-12H,(H,26,27,28)
• InChIKey: VCPMLMXRVWGSEC-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.78
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?

The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide (CID 3510241) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide.

What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?

The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is O=C(C=Cc1ccc(-c2cccc(Cl)c2Cl)o1)Nc1nc(-c2ccc(Cl)cc2)cs1.

What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?

The InChIKey is VCPMLMXRVWGSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3N2O2S/c23-14-6-4-13(5-7-14)18-12-30-22(26-18)27-20(28)11-9-15-8-10-19(29-15)16-2-1-3-17(24)21(16)25/h1-12H,(H,26,27,28).

What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide?

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 475.78 g/mol, XLogP of 7.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 3510241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).