N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C23H22N4O4S — CID 24617037

About N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 24617037) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
• PubChem CID: 24617037
• Molecular Formula: C23H22N4O4S
• Molecular Weight: 450.52 g/mol
• Exact Mass: 450.14
• IUPAC Name: N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(Cc3csc(N(C(C)=O)c4ccccc4)n3)C2=O)cc1
• InChI: InChI=1S/C23H22N4O4S/c1-15(28)27(18-7-5-4-6-8-18)22-24-17(14-32-22)13-26-20(29)23(2,25-21(26)30)16-9-11-19(31-3)12-10-16/h4-12,14H,13H2,1-3H3,(H,25,30)
• InChIKey: KTYRVUIKCKCEQS-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.52
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?

The IUPAC name of N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 24617037) is N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

What is the SMILES notation for N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?

The canonical SMILES for N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is COc1ccc(C2(C)NC(=O)N(Cc3csc(N(C(C)=O)c4ccccc4)n3)C2=O)cc1.

What is the InChIKey of N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?

The InChIKey is KTYRVUIKCKCEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-15(28)27(18-7-5-4-6-8-18)22-24-17(14-32-22)13-26-20(29)23(2,25-21(26)30)16-9-11-19(31-3)12-10-16/h4-12,14H,13H2,1-3H3,(H,25,30).

What are the key properties of N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide?

N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 450.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 24617037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).