(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one

C24H18Cl2N2O2S — CID 18806990

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

(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 18806990) has the molecular formula C24H18Cl2N2O2S and a molecular weight of 469.39 g/mol. Its IUPAC name is (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
• PubChem CID: 18806990
• Molecular Formula: C24H18Cl2N2O2S
• Molecular Weight: 469.39 g/mol
• Exact Mass: 468.05
• IUPAC Name: (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
• SMILES: C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S/C1=N/c1ccc(C)cc1
• InChI: InChI=1S/C24H18Cl2N2O2S/c1-3-10-28-23(29)22(31-24(28)27-19-6-4-15(2)5-7-19)14-20-8-9-21(30-20)16-11-17(25)13-18(26)12-16/h3-9,11-14H,1,10H2,2H3/b22-14-,27-24+
• InChIKey: YAYGPBXZWAPNHU-GKOYHKHUSA-N
• XLogP: 7.35
• TPSA: 45.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.39
LogP ≤ 5	7.35
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 (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 18806990) is (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S/C1=N/c1ccc(C)cc1.

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

The InChIKey is YAYGPBXZWAPNHU-GKOYHKHUSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2S/c1-3-10-28-23(29)22(31-24(28)27-19-6-4-15(2)5-7-19)14-20-8-9-21(30-20)16-11-17(25)13-18(26)12-16/h3-9,11-14H,1,10H2,2H3/b22-14-,27-24+.

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

(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 469.39 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18806990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).