N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid

C26H28N4O6S — CID 71780538

About N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid

N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid (PubChem CID 71780538) has the molecular formula C26H28N4O6S and a molecular weight of 524.60 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
• PubChem CID: 71780538
• Molecular Formula: C26H28N4O6S
• Molecular Weight: 524.60 g/mol
• Exact Mass: 524.17
• IUPAC Name: N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
• SMILES: CC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)cs3)CC2)cc1.O=C(O)C(=O)O
• InChI: InChI=1S/C24H26N4O2S.C2H2O4/c1-18(29)19-7-9-21(10-8-19)25-23(30)15-27-11-13-28(14-12-27)16-24-26-22(17-31-24)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-10,17H,11-16H2,1H3,(H,25,30);(H,3,4)(H,5,6)
• InChIKey: XRAUVRNSVPZUHP-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 140.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.60
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid?

The IUPAC name of N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid (CID 71780538) is N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid.

What is the SMILES notation for N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid?

The canonical SMILES for N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid is CC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)cs3)CC2)cc1.O=C(O)C(=O)O.

What is the InChIKey of N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid?

The InChIKey is XRAUVRNSVPZUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S.C2H2O4/c1-18(29)19-7-9-21(10-8-19)25-23(30)15-27-11-13-28(14-12-27)16-24-26-22(17-31-24)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-10,17H,11-16H2,1H3,(H,25,30);(H,3,4)(H,5,6).

What are the key properties of N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid?

N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid has a molecular weight of 524.60 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid is sourced from PubChem (CID 71780538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).