(2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one

C25H20FN3O2S — CID 19246881

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

(2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 19246881) has the molecular formula C25H20FN3O2S and a molecular weight of 445.52 g/mol. Its IUPAC name is (2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 19246881
• Molecular Formula: C25H20FN3O2S
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.13
• IUPAC Name: (2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: CC(/C=N\N=C1\S/C(=C\c2ccccc2F)C(=O)N1Cc1ccco1)=C\c1ccccc1
• InChI: InChI=1S/C25H20FN3O2S/c1-18(14-19-8-3-2-4-9-19)16-27-28-25-29(17-21-11-7-13-31-21)24(30)23(32-25)15-20-10-5-6-12-22(20)26/h2-16H,17H2,1H3/b18-14+,23-15-,27-16-,28-25+
• InChIKey: LUQPNGUDHMEXCB-MLUFDKFPSA-N
• XLogP: 5.98
• TPSA: 58.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	5.98
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-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (CID 19246881) is (2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is CC(/C=N\N=C1\S/C(=C\c2ccccc2F)C(=O)N1Cc1ccco1)=C\c1ccccc1.

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

The InChIKey is LUQPNGUDHMEXCB-MLUFDKFPSA-N. The full InChI is InChI=1S/C25H20FN3O2S/c1-18(14-19-8-3-2-4-9-19)16-27-28-25-29(17-21-11-7-13-31-21)24(30)23(32-25)15-20-10-5-6-12-22(20)26/h2-16H,17H2,1H3/b18-14+,23-15-,27-16-,28-25+.

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

(2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 445.52 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[(2-fluorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 19246881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).