3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide

C25H26N4O3S — CID 39859752

About 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide

3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide (PubChem CID 39859752) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide.

Molecular Properties

• Compound Name: 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide
• PubChem CID: 39859752
• Molecular Formula: C25H26N4O3S
• Molecular Weight: 462.58 g/mol
• Exact Mass: 462.17
• IUPAC Name: 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide
• SMILES: CCOc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(C)cc3)cs2)cc1OCC
• InChI: InChI=1S/C25H26N4O3S/c1-5-31-21-12-11-19(13-22(21)32-6-2)24(30)28-23-14-26-17(4)29(23)25-27-20(15-33-25)18-9-7-16(3)8-10-18/h7-15H,5-6H2,1-4H3,(H,28,30)
• InChIKey: JBLPPVJOXKFNFK-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.58
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide?

The IUPAC name of 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide (CID 39859752) is 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide.

What is the SMILES notation for 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide?

The canonical SMILES for 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide is CCOc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(C)cc3)cs2)cc1OCC.

What is the InChIKey of 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide?

The InChIKey is JBLPPVJOXKFNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-5-31-21-12-11-19(13-22(21)32-6-2)24(30)28-23-14-26-17(4)29(23)25-27-20(15-33-25)18-9-7-16(3)8-10-18/h7-15H,5-6H2,1-4H3,(H,28,30).

What are the key properties of 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide?

3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide has a molecular weight of 462.58 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-diethoxy-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]benzamide is sourced from PubChem (CID 39859752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).