N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide

C24H24N4O3S — CID 56725641

About N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide

N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide (PubChem CID 56725641) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide.

Molecular Properties

• Compound Name: N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide
• PubChem CID: 56725641
• Molecular Formula: C24H24N4O3S
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.16
• IUPAC Name: N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide
• SMILES: CCOc1ccc(-c2csc(-n3c(NC(=O)C(C)Oc4ccccc4)cnc3C)n2)cc1
• InChI: InChI=1S/C24H24N4O3S/c1-4-30-19-12-10-18(11-13-19)21-15-32-24(26-21)28-17(3)25-14-22(28)27-23(29)16(2)31-20-8-6-5-7-9-20/h5-16H,4H2,1-3H3,(H,27,29)
• InChIKey: KLXLACZJLKIEIO-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide?

The IUPAC name of N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide (CID 56725641) is N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide.

What is the SMILES notation for N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide?

The canonical SMILES for N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide is CCOc1ccc(-c2csc(-n3c(NC(=O)C(C)Oc4ccccc4)cnc3C)n2)cc1.

What is the InChIKey of N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide?

The InChIKey is KLXLACZJLKIEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-4-30-19-12-10-18(11-13-19)21-15-32-24(26-21)28-17(3)25-14-22(28)27-23(29)16(2)31-20-8-6-5-7-9-20/h5-16H,4H2,1-3H3,(H,27,29).

What are the key properties of N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide?

N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide has a molecular weight of 448.55 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-methylimidazol-4-yl]-2-phenoxypropanamide is sourced from PubChem (CID 56725641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).