3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

C26H18F2N4O2S — CID 175252448

About 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 175252448) has the molecular formula C26H18F2N4O2S and a molecular weight of 488.52 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 175252448
• Molecular Formula: C26H18F2N4O2S
• Molecular Weight: 488.52 g/mol
• Exact Mass: 488.11
• IUPAC Name: 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: Cc1ccc(N2C(=O)C(=Cc3ccc(F)cc3)SC2=NN=C2C(=O)Nc3ccc(F)cc32)c(C)c1
• InChI: InChI=1S/C26H18F2N4O2S/c1-14-3-10-21(15(2)11-14)32-25(34)22(12-16-4-6-17(27)7-5-16)35-26(32)31-30-23-19-13-18(28)8-9-20(19)29-24(23)33/h3-13H,1-2H3,(H,29,30,33)
• InChIKey: RMZFPWMSRLQKKW-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 74.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.52
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'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 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 175252448) is 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)C(=Cc3ccc(F)cc3)SC2=NN=C2C(=O)Nc3ccc(F)cc32)c(C)c1.

What is the InChIKey of 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is RMZFPWMSRLQKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O2S/c1-14-3-10-21(15(2)11-14)32-25(34)22(12-16-4-6-17(27)7-5-16)35-26(32)31-30-23-19-13-18(28)8-9-20(19)29-24(23)33/h3-13H,1-2H3,(H,29,30,33).

What are the key properties of 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?

3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 488.52 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,4-dimethylphenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 175252448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).