(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

C24H19Cl2N3O4S — CID 19245947

About (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one

(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 19245947) has the molecular formula C24H19Cl2N3O4S and a molecular weight of 516.41 g/mol. Its IUPAC name is (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• PubChem CID: 19245947
• Molecular Formula: C24H19Cl2N3O4S
• Molecular Weight: 516.41 g/mol
• Exact Mass: 515.05
• IUPAC Name: (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• SMILES: COc1ccc(/C=N\N=C2\S/C(=C\c3cccc(Cl)c3Cl)C(=O)N2Cc2ccco2)cc1OC
• InChI: InChI=1S/C24H19Cl2N3O4S/c1-31-19-9-8-15(11-20(19)32-2)13-27-28-24-29(14-17-6-4-10-33-17)23(30)21(34-24)12-16-5-3-7-18(25)22(16)26/h3-13H,14H2,1-2H3/b21-12-,27-13-,28-24+
• InChIKey: RXBGKKCFDDPVQZ-MEONFGFESA-N
• XLogP: 6.11
• TPSA: 76.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.41
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 19245947) is (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is COc1ccc(/C=N\N=C2\S/C(=C\c3cccc(Cl)c3Cl)C(=O)N2Cc2ccco2)cc1OC.

What is the InChIKey of (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The InChIKey is RXBGKKCFDDPVQZ-MEONFGFESA-N. The full InChI is InChI=1S/C24H19Cl2N3O4S/c1-31-19-9-8-15(11-20(19)32-2)13-27-28-24-29(14-17-6-4-10-33-17)23(30)21(34-24)12-16-5-3-7-18(25)22(16)26/h3-13H,14H2,1-2H3/b21-12-,27-13-,28-24+.

What are the key properties of (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 516.41 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 19245947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).