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

C23H21ClN4O4S — CID 55386735

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

N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 55386735) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 55386735
• Molecular Formula: C23H21ClN4O4S
• Molecular Weight: 484.97 g/mol
• Exact Mass: 484.10
• IUPAC Name: N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1ccc(C2(C)NC(=O)N(CC(=O)/N=c3/sccn3Cc3ccccc3Cl)C2=O)cc1
• InChI: InChI=1S/C23H21ClN4O4S/c1-23(16-7-9-17(32-2)10-8-16)20(30)28(21(31)26-23)14-19(29)25-22-27(11-12-33-22)13-15-5-3-4-6-18(15)24/h3-12H,13-14H2,1-2H3,(H,26,31)/b25-22+
• InChIKey: YNQJEFHSNVBUQC-YYDJUVGSSA-N
• XLogP: 3.15
• TPSA: 93.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.97
LogP ≤ 5	3.15
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-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 55386735) is N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

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

The canonical SMILES for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc(C2(C)NC(=O)N(CC(=O)/N=c3/sccn3Cc3ccccc3Cl)C2=O)cc1.

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

The InChIKey is YNQJEFHSNVBUQC-YYDJUVGSSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-23(16-7-9-17(32-2)10-8-16)20(30)28(21(31)26-23)14-19(29)25-22-27(11-12-33-22)13-15-5-3-4-6-18(15)24/h3-12H,13-14H2,1-2H3,(H,26,31)/b25-22+.

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

N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 484.97 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 55386735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).