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

C24H13ClN2O4S2 — CID 124650647

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

(5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 124650647) has the molecular formula C24H13ClN2O4S2 and a molecular weight of 492.97 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
• PubChem CID: 124650647
• Molecular Formula: C24H13ClN2O4S2
• Molecular Weight: 492.97 g/mol
• Exact Mass: 492.00
• IUPAC Name: (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1cccc2ccccc12
• InChI: InChI=1S/C24H13ClN2O4S2/c25-19-10-8-15(27(29)30)12-18(19)21-11-9-16(31-21)13-22-23(28)26(24(32)33-22)20-7-3-5-14-4-1-2-6-17(14)20/h1-13H/b22-13-
• InChIKey: PRQZYAKXXZTWEE-XKZIYDEJSA-N
• XLogP: 7.07
• TPSA: 76.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.97
LogP ≤ 5	7.07
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 (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 124650647) is (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC(=S)N1c1cccc2ccccc12.

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

The InChIKey is PRQZYAKXXZTWEE-XKZIYDEJSA-N. The full InChI is InChI=1S/C24H13ClN2O4S2/c25-19-10-8-15(27(29)30)12-18(19)21-11-9-16(31-21)13-22-23(28)26(24(32)33-22)20-7-3-5-14-4-1-2-6-17(14)20/h1-13H/b22-13-.

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

(5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 492.97 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 124650647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).