5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one

C24H19FN2O3S — CID 1202678

About 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one

5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 1202678) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
• PubChem CID: 1202678
• Molecular Formula: C24H19FN2O3S
• Molecular Weight: 434.49 g/mol
• Exact Mass: 434.11
• IUPAC Name: 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
• SMILES: [H]/N=C1\SC(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1OC
• InChI: InChI=1S/C24H19FN2O3S/c1-29-21-9-5-4-8-20(21)27-23(28)22(31-24(27)26)14-16-10-12-18(13-11-16)30-15-17-6-2-3-7-19(17)25/h2-14,26H,15H2,1H3/b22-14?,26-24-
• InChIKey: ZCGSWVONWBMRJF-YJFPSUNOSA-N
• XLogP: 5.47
• TPSA: 62.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.49
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
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'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?

The IUPAC name of 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (CID 1202678) is 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is [H]/N=C1\SC(=Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1OC.

What is the InChIKey of 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?

The InChIKey is ZCGSWVONWBMRJF-YJFPSUNOSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c1-29-21-9-5-4-8-20(21)27-23(28)22(31-24(27)26)14-16-10-12-18(13-11-16)30-15-17-6-2-3-7-19(17)25/h2-14,26H,15H2,1H3/b22-14?,26-24-.

What are the key properties of 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?

5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 434.49 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1202678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).