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

C24H14BrFN4O3S — CID 175535811

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

3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 175535811) has the molecular formula C24H14BrFN4O3S and a molecular weight of 537.37 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 175535811
• Molecular Formula: C24H14BrFN4O3S
• Molecular Weight: 537.37 g/mol
• Exact Mass: 536.00
• IUPAC Name: 3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1Nc2ccc(F)cc2C1=NN=C1SC(=Cc2ccc(O)cc2)C(=O)N1c1ccc(Br)cc1
• InChI: InChI=1S/C24H14BrFN4O3S/c25-14-3-6-16(7-4-14)30-23(33)20(11-13-1-8-17(31)9-2-13)34-24(30)29-28-21-18-12-15(26)5-10-19(18)27-22(21)32/h1-12,31H,(H,27,28,32)
• InChIKey: MZIUELUHTROXQW-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 94.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.37
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of 3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 175535811) is 3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for 3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1Nc2ccc(F)cc2C1=NN=C1SC(=Cc2ccc(O)cc2)C(=O)N1c1ccc(Br)cc1.

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

The InChIKey is MZIUELUHTROXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14BrFN4O3S/c25-14-3-6-16(7-4-14)30-23(33)20(11-13-1-8-17(31)9-2-13)34-24(30)29-28-21-18-12-15(26)5-10-19(18)27-22(21)32/h1-12,31H,(H,27,28,32).

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

3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 537.37 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromophenyl)-2-[(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 175535811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).