1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one

C24H25N3O2S — CID 18209376

About 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one

1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 18209376) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
• PubChem CID: 18209376
• Molecular Formula: C24H25N3O2S
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.17
• IUPAC Name: 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
• SMILES: CCC1CS/C(=N\c2ccc(C)cc2)N1C(=O)CCc1ncc(-c2ccccc2)o1
• InChI: InChI=1S/C24H25N3O2S/c1-3-20-16-30-24(26-19-11-9-17(2)10-12-19)27(20)23(28)14-13-22-25-15-21(29-22)18-7-5-4-6-8-18/h4-12,15,20H,3,13-14,16H2,1-2H3/b26-24-
• InChIKey: VTVNUSCLSVRSLN-LCUIJRPUSA-N
• XLogP: 5.62
• TPSA: 58.70 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?

The IUPAC name of 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one (CID 18209376) is 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one.

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

The canonical SMILES for 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one is CCC1CS/C(=N\c2ccc(C)cc2)N1C(=O)CCc1ncc(-c2ccccc2)o1.

What is the InChIKey of 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?

The InChIKey is VTVNUSCLSVRSLN-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-3-20-16-30-24(26-19-11-9-17(2)10-12-19)27(20)23(28)14-13-22-25-15-21(29-22)18-7-5-4-6-8-18/h4-12,15,20H,3,13-14,16H2,1-2H3/b26-24-.

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

1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 419.55 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-ethyl-2-(4-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 18209376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).