(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione

C20H11ClFNO3S — CID 18840354

About (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione

(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18840354) has the molecular formula C20H11ClFNO3S and a molecular weight of 399.83 g/mol. Its IUPAC name is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
• PubChem CID: 18840354
• Molecular Formula: C20H11ClFNO3S
• Molecular Weight: 399.83 g/mol
• Exact Mass: 399.01
• IUPAC Name: (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
• SMILES: O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccc(F)cc1
• InChI: InChI=1S/C20H11ClFNO3S/c21-16-4-2-1-3-15(16)17-10-9-14(26-17)11-18-19(24)23(20(25)27-18)13-7-5-12(22)6-8-13/h1-11H/b18-11+
• InChIKey: JKFIONUVQYCCLU-WOJGMQOQSA-N
• XLogP: 5.98
• TPSA: 50.52 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.83
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione (CID 18840354) is (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccc(F)cc1.

What is the InChIKey of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?

The InChIKey is JKFIONUVQYCCLU-WOJGMQOQSA-N. The full InChI is InChI=1S/C20H11ClFNO3S/c21-16-4-2-1-3-15(16)17-10-9-14(26-17)11-18-19(24)23(20(25)27-18)13-7-5-12(22)6-8-13/h1-11H/b18-11+.

What are the key properties of (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione?

(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 399.83 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18840354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).