5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one

C27H18Cl2N2O2S — CID 4704697

About 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one

5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 4704697) has the molecular formula C27H18Cl2N2O2S and a molecular weight of 505.43 g/mol. Its IUPAC name is 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one
• PubChem CID: 4704697
• Molecular Formula: C27H18Cl2N2O2S
• Molecular Weight: 505.43 g/mol
• Exact Mass: 504.05
• IUPAC Name: 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one
• SMILES: C=CCN1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)S/C1=N\c1cccc2ccccc12
• InChI: InChI=1S/C27H18Cl2N2O2S/c1-2-12-31-26(32)25(16-21-10-11-24(33-21)18-13-19(28)15-20(29)14-18)34-27(31)30-23-9-5-7-17-6-3-4-8-22(17)23/h2-11,13-16H,1,12H2/b25-16?,30-27-
• InChIKey: QVHFOIITHBOVCV-LOCIQUTJSA-N
• XLogP: 8.20
• TPSA: 45.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.43
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one?

The IUPAC name of 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 4704697) is 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)S/C1=N\c1cccc2ccccc12.

What is the InChIKey of 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one?

The InChIKey is QVHFOIITHBOVCV-LOCIQUTJSA-N. The full InChI is InChI=1S/C27H18Cl2N2O2S/c1-2-12-31-26(32)25(16-21-10-11-24(33-21)18-13-19(28)15-20(29)14-18)34-27(31)30-23-9-5-7-17-6-3-4-8-22(17)23/h2-11,13-16H,1,12H2/b25-16?,30-27-.

What are the key properties of 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one?

5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 505.43 g/mol, XLogP of 8.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-1-ylimino-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4704697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).