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

C26H30N4O6S — CID 71780537

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

N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid (PubChem CID 71780537) has the molecular formula C26H30N4O6S and a molecular weight of 526.62 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid.

Molecular Properties

• Compound Name: N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
• PubChem CID: 71780537
• Molecular Formula: C26H30N4O6S
• Molecular Weight: 526.62 g/mol
• Exact Mass: 526.19
• IUPAC Name: N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid
• SMILES: CCOc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1.O=C(O)C(=O)O
• InChI: InChI=1S/C24H28N4O2S.C2H2O4/c1-2-30-22-11-7-6-10-20(22)25-23(29)16-27-12-14-28(15-13-27)17-24-26-21(18-31-24)19-8-4-3-5-9-19;3-1(4)2(5)6/h3-11,18H,2,12-17H2,1H3,(H,25,29);(H,3,4)(H,5,6)
• InChIKey: NNGVVRAOTHRMKH-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 132.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.62
LogP ≤ 5	3.12
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-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid?

The IUPAC name of N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid (CID 71780537) is N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid.

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

The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid is CCOc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1.O=C(O)C(=O)O.

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

The InChIKey is NNGVVRAOTHRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S.C2H2O4/c1-2-30-22-11-7-6-10-20(22)25-23(29)16-27-12-14-28(15-13-27)17-24-26-21(18-31-24)19-8-4-3-5-9-19;3-1(4)2(5)6/h3-11,18H,2,12-17H2,1H3,(H,25,29);(H,3,4)(H,5,6).

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

N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid has a molecular weight of 526.62 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide;oxalic acid is sourced from PubChem (CID 71780537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).