2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide

C24H28N2O3S — CID 46536784

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 46536784) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide
• PubChem CID: 46536784
• Molecular Formula: C24H28N2O3S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.18
• IUPAC Name: 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide
• SMILES: CCOc1ccccc1-c1nc(CC(=O)NCCCOC(C)c2ccccc2)cs1
• InChI: InChI=1S/C24H28N2O3S/c1-3-28-22-13-8-7-12-21(22)24-26-20(17-30-24)16-23(27)25-14-9-15-29-18(2)19-10-5-4-6-11-19/h4-8,10-13,17-18H,3,9,14-16H2,1-2H3,(H,25,27)
• InChIKey: YDTBJRVAHARPLE-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide?

The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide (CID 46536784) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide.

What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide?

The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide is CCOc1ccccc1-c1nc(CC(=O)NCCCOC(C)c2ccccc2)cs1.

What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide?

The InChIKey is YDTBJRVAHARPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-3-28-22-13-8-7-12-21(22)24-26-20(17-30-24)16-23(27)25-14-9-15-29-18(2)19-10-5-4-6-11-19/h4-8,10-13,17-18H,3,9,14-16H2,1-2H3,(H,25,27).

What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide?

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 424.57 g/mol, XLogP of 5.04, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 46536784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).