4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine

C25H28N4O2S — CID 23790682

About 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine

4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine (PubChem CID 23790682) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine
• PubChem CID: 23790682
• Molecular Formula: C25H28N4O2S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.19
• IUPAC Name: 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine
• SMILES: CCc1ccc(/N=c2\scc(-c3cc(OC)ccc3OC)n2CCCn2ccnc2)cc1
• InChI: InChI=1S/C25H28N4O2S/c1-4-19-6-8-20(9-7-19)27-25-29(14-5-13-28-15-12-26-18-28)23(17-32-25)22-16-21(30-2)10-11-24(22)31-3/h6-12,15-18H,4-5,13-14H2,1-3H3/b27-25-
• InChIKey: LIEJOIQCGQHZBZ-RFBIWTDZSA-N
• XLogP: 5.32
• TPSA: 53.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine?

The IUPAC name of 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine (CID 23790682) is 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine.

What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine?

The canonical SMILES for 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine is CCc1ccc(/N=c2\scc(-c3cc(OC)ccc3OC)n2CCCn2ccnc2)cc1.

What is the InChIKey of 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine?

The InChIKey is LIEJOIQCGQHZBZ-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-4-19-6-8-20(9-7-19)27-25-29(14-5-13-28-15-12-26-18-28)23(17-32-25)22-16-21(30-2)10-11-24(22)31-3/h6-12,15-18H,4-5,13-14H2,1-3H3/b27-25-.

What are the key properties of 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine?

4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine has a molecular weight of 448.59 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,5-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23790682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).