(5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one

C22H24N2O2S — CID 9486909

About (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 9486909) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 9486909
• Molecular Formula: C22H24N2O2S
• Molecular Weight: 380.51 g/mol
• Exact Mass: 380.16
• IUPAC Name: (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: CCN1C(=O)/C(=C\c2ccccc2OC(C)C)S/C1=N\c1ccccc1C
• InChI: InChI=1S/C22H24N2O2S/c1-5-24-21(25)20(14-17-11-7-9-13-19(17)26-15(2)3)27-22(24)23-18-12-8-6-10-16(18)4/h6-15H,5H2,1-4H3/b20-14+,23-22-
• InChIKey: BKDAVWILVBJSNP-QNQNADBQSA-N
• XLogP: 5.41
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	380.51
LogP ≤ 5	5.41
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)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 9486909) is (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2ccccc2OC(C)C)S/C1=N\c1ccccc1C.

What is the InChIKey of (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is BKDAVWILVBJSNP-QNQNADBQSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-5-24-21(25)20(14-17-11-7-9-13-19(17)26-15(2)3)27-22(24)23-18-12-8-6-10-16(18)4/h6-15H,5H2,1-4H3/b20-14+,23-22-.

What are the key properties of (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one?

(5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 380.51 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-3-ethyl-2-(2-methylphenyl)imino-5-[(2-propan-2-yloxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 9486909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).