2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

C₁₆H₁₂FN₃OS — CID 172921197

About 2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one

2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 172921197) has the molecular formula C₁₆H₁₂FN₃OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 172921197
• Molecular Formula: C₁₆H₁₂FN₃OS
• Molecular Weight: 313.36 g/mol
• Exact Mass: 313.07
• IUPAC Name: 2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
• SMILES: O=C1NC(=N/N=C/c2ccc(F)cc2)SC1c1ccccc1
• InChI: InChI=1S/C16H12FN3OS/c17-13-8-6-11(7-9-13)10-18-20-16-19-15(21)14(22-16)12-4-2-1-3-5-12/h1-10,14H,(H,19,20,21)/b18-10+
• InChIKey: MHEGOGVBBWAKKE-VCHYOVAHSA-N
• XLogP: 3.12
• TPSA: 53.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.36
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of 2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (CID 172921197) is 2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.

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

The canonical SMILES for 2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is O=C1NC(=N/N=C/c2ccc(F)cc2)SC1c1ccccc1.

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

The InChIKey is MHEGOGVBBWAKKE-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-13-8-6-11(7-9-13)10-18-20-16-19-15(21)14(22-16)12-4-2-1-3-5-12/h1-10,14H,(H,19,20,21)/b18-10+.

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

2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 313.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 172921197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172921197 — identifiers, structure, computed properties (public domain)

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