3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide

C21H26N4O3S — CID 24658706

About 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide

3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 24658706) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

• Compound Name: 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide
• PubChem CID: 24658706
• Molecular Formula: C21H26N4O3S
• Molecular Weight: 414.53 g/mol
• Exact Mass: 414.17
• IUPAC Name: 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide
• SMILES: CCOc1cc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)ccc1OCC(C)C
• InChI: InChI=1S/C21H26N4O3S/c1-6-27-17-11-15(7-8-16(17)28-12-13(2)3)20(26)24-21-23-14(4)18(29-21)19-22-9-10-25(19)5/h7-11,13H,6,12H2,1-5H3,(H,23,24,26)
• InChIKey: NAGXPUAZBXPBRS-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.53
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide?

The IUPAC name of 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide (CID 24658706) is 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide.

What is the SMILES notation for 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide?

The canonical SMILES for 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide is CCOc1cc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)ccc1OCC(C)C.

What is the InChIKey of 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide?

The InChIKey is NAGXPUAZBXPBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c1-6-27-17-11-15(7-8-16(17)28-12-13(2)3)20(26)24-21-23-14(4)18(29-21)19-22-9-10-25(19)5/h7-11,13H,6,12H2,1-5H3,(H,23,24,26).

What are the key properties of 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide?

3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide has a molecular weight of 414.53 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 24658706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).