(5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

C24H19ClN4O4S — CID 1345920

About (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

(5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one (PubChem CID 1345920) has the molecular formula C24H19ClN4O4S and a molecular weight of 494.96 g/mol. Its IUPAC name is (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
• PubChem CID: 1345920
• Molecular Formula: C24H19ClN4O4S
• Molecular Weight: 494.96 g/mol
• Exact Mass: 494.08
• IUPAC Name: (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
• SMILES: O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1
• InChI: InChI=1S/C24H19ClN4O4S/c25-17-3-7-18(8-4-17)27-11-13-28(14-12-27)24-26-23(30)22(34-24)15-20-9-10-21(33-20)16-1-5-19(6-2-16)29(31)32/h1-10,15H,11-14H2/b22-15-
• InChIKey: CRQDFIPVAJAHPZ-JCMHNJIXSA-N
• XLogP: 5.30
• TPSA: 92.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.96
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?

The IUPAC name of (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one (CID 1345920) is (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one.

What is the SMILES notation for (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?

The canonical SMILES for (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1.

What is the InChIKey of (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?

The InChIKey is CRQDFIPVAJAHPZ-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H19ClN4O4S/c25-17-3-7-18(8-4-17)27-11-13-28(14-12-27)24-26-23(30)22(34-24)15-20-9-10-21(33-20)16-1-5-19(6-2-16)29(31)32/h1-10,15H,11-14H2/b22-15-.

What are the key properties of (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one?

(5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one has a molecular weight of 494.96 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[4-(4-chlorophenyl)piperazin-1-yl]-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 1345920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).