(5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C22H22F2N2O2S — CID 9486140

About (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

(5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 9486140) has the molecular formula C22H22F2N2O2S and a molecular weight of 416.49 g/mol. Its IUPAC name is (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
• PubChem CID: 9486140
• Molecular Formula: C22H22F2N2O2S
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.14
• IUPAC Name: (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
• SMILES: CCOc1ccccc1/C=C1/S/C(=N\c2ccc(F)cc2F)N(CC(C)C)C1=O
• InChI: InChI=1S/C22H22F2N2O2S/c1-4-28-19-8-6-5-7-15(19)11-20-21(27)26(13-14(2)3)22(29-20)25-18-10-9-16(23)12-17(18)24/h5-12,14H,4,13H2,1-3H3/b20-11+,25-22-
• InChIKey: RPXFGZDWKNDTPS-RSQFKHFRSA-N
• XLogP: 5.62
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 9486140) is (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is CCOc1ccccc1/C=C1/S/C(=N\c2ccc(F)cc2F)N(CC(C)C)C1=O.

What is the InChIKey of (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?

The InChIKey is RPXFGZDWKNDTPS-RSQFKHFRSA-N. The full InChI is InChI=1S/C22H22F2N2O2S/c1-4-28-19-8-6-5-7-15(19)11-20-21(27)26(13-14(2)3)22(29-20)25-18-10-9-16(23)12-17(18)24/h5-12,14H,4,13H2,1-3H3/b20-11+,25-22-.

What are the key properties of (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?

(5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 416.49 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-2-(2,4-difluorophenyl)imino-5-[(2-ethoxyphenyl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).