5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C20H10Cl2N2O4S2 — CID 2920551

About 5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2920551) has the molecular formula C20H10Cl2N2O4S2 and a molecular weight of 477.35 g/mol. Its IUPAC name is 5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 2920551
• Molecular Formula: C20H10Cl2N2O4S2
• Molecular Weight: 477.35 g/mol
• Exact Mass: 475.95
• IUPAC Name: 5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1c1ccc(Cl)cc1
• InChI: InChI=1S/C20H10Cl2N2O4S2/c21-11-1-3-12(4-2-11)23-19(25)18(30-20(23)29)10-14-6-8-17(28-14)15-7-5-13(24(26)27)9-16(15)22/h1-10H
• InChIKey: ZQHOXEXDDYHPDJ-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 76.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.35
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', '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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2920551) is 5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for 5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1c1ccc(Cl)cc1.

What is the InChIKey of 5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?

The InChIKey is ZQHOXEXDDYHPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2N2O4S2/c21-11-1-3-12(4-2-11)23-19(25)18(30-20(23)29)10-14-6-8-17(28-14)15-7-5-13(24(26)27)9-16(15)22/h1-10H.

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

5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 477.35 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2920551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).