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

C23H22N4O4S — CID 2528568

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

2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2528568) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 2528568
• Molecular Formula: C23H22N4O4S
• Molecular Weight: 450.52 g/mol
• Exact Mass: 450.14
• IUPAC Name: 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc(-c4ccc(C)cc4)cs3)C2=O)cc1
• InChI: InChI=1S/C23H22N4O4S/c1-14-4-6-15(7-5-14)18-13-32-21(24-18)25-19(28)12-27-20(29)23(2,26-22(27)30)16-8-10-17(31-3)11-9-16/h4-11,13H,12H2,1-3H3,(H,26,30)(H,24,25,28)/t23-/m0/s1
• InChIKey: ZRTDGMARRPIOGX-QHCPKHFHSA-N
• XLogP: 3.53
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• 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	3.53
H-Bond Donors ≤ 5	2
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 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 2528568) is 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc(-c4ccc(C)cc4)cs3)C2=O)cc1.

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

The InChIKey is ZRTDGMARRPIOGX-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-14-4-6-15(7-5-14)18-13-32-21(24-18)25-19(28)12-27-20(29)23(2,26-22(27)30)16-8-10-17(31-3)11-9-16/h4-11,13H,12H2,1-3H3,(H,26,30)(H,24,25,28)/t23-/m0/s1.

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

2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 450.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2528568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).