3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C19H26N2O2S — CID 1208545

About 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 1208545) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 1208545
• Molecular Formula: C19H26N2O2S
• Molecular Weight: 346.50 g/mol
• Exact Mass: 346.17
• IUPAC Name: 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: CC/N=C1/SC(=Cc2cc(C(C)C)c(OC)cc2C)C(=O)N1CC
• InChI: InChI=1S/C19H26N2O2S/c1-7-20-19-21(8-2)18(22)17(24-19)11-14-10-15(12(3)4)16(23-6)9-13(14)5/h9-12H,7-8H2,1-6H3/b17-11?,20-19+
• InChIKey: WTAFHYYWYDQBIL-VKUJXCNMSA-N
• XLogP: 4.44
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.50
LogP ≤ 5	4.44
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 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 1208545) is 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is CC/N=C1/SC(=Cc2cc(C(C)C)c(OC)cc2C)C(=O)N1CC.

What is the InChIKey of 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is WTAFHYYWYDQBIL-VKUJXCNMSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-7-20-19-21(8-2)18(22)17(24-19)11-14-10-15(12(3)4)16(23-6)9-13(14)5/h9-12H,7-8H2,1-6H3/b17-11?,20-19+.

What are the key properties of 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?

3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 346.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-ethylimino-5-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1208545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).