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

C22H15F2N3O2S — CID 16627857

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

(2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 16627857) has the molecular formula C22H15F2N3O2S and a molecular weight of 423.44 g/mol. Its IUPAC name is (2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• PubChem CID: 16627857
• Molecular Formula: C22H15F2N3O2S
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.09
• IUPAC Name: (2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/c2ccccc2F)S/C(=N\N=C\c2ccc(F)cc2)N1Cc1ccco1
• InChI: InChI=1S/C22H15F2N3O2S/c23-17-9-7-15(8-10-17)13-25-26-22-27(14-18-5-3-11-29-18)21(28)20(30-22)12-16-4-1-2-6-19(16)24/h1-13H,14H2/b20-12-,25-13+,26-22-
• InChIKey: VRWWUCOZWUJPCP-PLQJZNNASA-N
• XLogP: 5.06
• TPSA: 58.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	5.06
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 (2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of (2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one (CID 16627857) is (2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccccc2F)S/C(=N\N=C\c2ccc(F)cc2)N1Cc1ccco1.

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

The InChIKey is VRWWUCOZWUJPCP-PLQJZNNASA-N. The full InChI is InChI=1S/C22H15F2N3O2S/c23-17-9-7-15(8-10-17)13-25-26-22-27(14-18-5-3-11-29-18)21(28)20(30-22)12-16-4-1-2-6-19(16)24/h1-13H,14H2/b20-12-,25-13+,26-22-.

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

(2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 423.44 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5Z)-5-[(2-fluorophenyl)methylidene]-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16627857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).