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

C24H14Cl2N2O2S — CID 135487130

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

5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 135487130) has the molecular formula C24H14Cl2N2O2S and a molecular weight of 465.36 g/mol. Its IUPAC name is 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
• PubChem CID: 135487130
• Molecular Formula: C24H14Cl2N2O2S
• Molecular Weight: 465.36 g/mol
• Exact Mass: 464.02
• IUPAC Name: 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N/c2ccc3ccccc3c2)SC1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1
• InChI: InChI=1S/C24H14Cl2N2O2S/c25-16-6-9-20(26)19(12-16)21-10-8-18(30-21)13-22-23(29)28-24(31-22)27-17-7-5-14-3-1-2-4-15(14)11-17/h1-13H,(H,27,28,29)
• InChIKey: DFWLRJQBNPFCPN-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 54.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.36
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one (CID 135487130) is 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one.

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

The canonical SMILES for 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc3ccccc3c2)SC1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1.

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

The InChIKey is DFWLRJQBNPFCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2N2O2S/c25-16-6-9-20(26)19(12-16)21-10-8-18(30-21)13-22-23(29)28-24(31-22)27-17-7-5-14-3-1-2-4-15(14)11-17/h1-13H,(H,27,28,29).

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

5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 465.36 g/mol, XLogP of 7.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135487130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).