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

C23H17Cl2N3O2S — CID 19246739

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

(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 19246739) has the molecular formula C23H17Cl2N3O2S and a molecular weight of 470.38 g/mol. Its IUPAC name is (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 19246739
• Molecular Formula: C23H17Cl2N3O2S
• Molecular Weight: 470.38 g/mol
• Exact Mass: 469.04
• IUPAC Name: (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: Cc1ccccc1/C=N\N=C1\S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1Cc1ccco1
• InChI: InChI=1S/C23H17Cl2N3O2S/c1-15-6-2-3-7-17(15)13-26-27-23-28(14-18-9-5-11-30-18)22(29)20(31-23)12-16-8-4-10-19(24)21(16)25/h2-13H,14H2,1H3/b20-12-,26-13-,27-23+
• InChIKey: FOQGGRQUIMKNFI-AVCUENSKSA-N
• XLogP: 6.40
• TPSA: 58.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.38
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 19246739) is (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccccc1/C=N\N=C1\S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1Cc1ccco1.

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

The InChIKey is FOQGGRQUIMKNFI-AVCUENSKSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2S/c1-15-6-2-3-7-17(15)13-26-27-23-28(14-18-9-5-11-30-18)22(29)20(31-23)12-16-8-4-10-19(24)21(16)25/h2-13H,14H2,1H3/b20-12-,26-13-,27-23+.

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

(2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 470.38 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[(2,3-dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).