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

C24H14ClFN4O3S — CID 176624294

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

(2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 176624294) has the molecular formula C24H14ClFN4O3S and a molecular weight of 492.92 g/mol. Its IUPAC name is (2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 176624294
• Molecular Formula: C24H14ClFN4O3S
• Molecular Weight: 492.92 g/mol
• Exact Mass: 492.05
• IUPAC Name: (2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1Nc2ccc(F)cc2/C1=N/N=C1/S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(Cl)c1
• InChI: InChI=1S/C24H14ClFN4O3S/c25-14-2-1-3-16(11-14)30-23(33)20(10-13-4-7-17(31)8-5-13)34-24(30)29-28-21-18-12-15(26)6-9-19(18)27-22(21)32/h1-12,31H,(H,27,28,32)/b20-10-,29-24+
• InChIKey: FJBSNFNHRHPXMS-QXFJWDNXSA-N
• XLogP: 5.02
• TPSA: 94.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.92
LogP ≤ 5	5.02
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 (2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 176624294) is (2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is O=C1Nc2ccc(F)cc2/C1=N/N=C1/S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(Cl)c1.

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

The InChIKey is FJBSNFNHRHPXMS-QXFJWDNXSA-N. The full InChI is InChI=1S/C24H14ClFN4O3S/c25-14-2-1-3-16(11-14)30-23(33)20(10-13-4-7-17(31)8-5-13)34-24(30)29-28-21-18-12-15(26)6-9-19(18)27-22(21)32/h1-12,31H,(H,27,28,32)/b20-10-,29-24+.

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

(2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 492.92 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-3-(3-chlorophenyl)-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 176624294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).