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

C23H21ClN4O3S — CID 26011308

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

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 26011308) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 26011308
• Molecular Formula: C23H21ClN4O3S
• Molecular Weight: 468.97 g/mol
• Exact Mass: 468.10
• IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1
• InChI: InChI=1S/C23H21ClN4O3S/c1-14-3-7-16(8-4-14)23(2)20(30)28(22(31)27-23)13-19(29)26-21-25-12-18(32-21)11-15-5-9-17(24)10-6-15/h3-10,12H,11,13H2,1-2H3,(H,27,31)(H,25,26,29)/t23-/m1/s1
• InChIKey: WHHORKDPXXQWJY-HSZRJFAPSA-N
• XLogP: 4.10
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.97
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 26011308) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

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

The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)C2=O)cc1.

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

The InChIKey is WHHORKDPXXQWJY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c1-14-3-7-16(8-4-14)23(2)20(30)28(22(31)27-23)13-19(29)26-21-25-12-18(32-21)11-15-5-9-17(24)10-6-15/h3-10,12H,11,13H2,1-2H3,(H,27,31)(H,25,26,29)/t23-/m1/s1.

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

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 468.97 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 26011308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).