2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C23H26N2O3S — CID 18836350

About 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 18836350) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• PubChem CID: 18836350
• Molecular Formula: C23H26N2O3S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.17
• IUPAC Name: 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
• SMILES: CCOc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(C(C)C)cc2)s1
• InChI: InChI=1S/C23H26N2O3S/c1-4-27-20-7-5-6-8-21(20)28-15-22(26)25-23-24-14-19(29-23)13-17-9-11-18(12-10-17)16(2)3/h5-12,14,16H,4,13,15H2,1-3H3,(H,24,25,26)
• InChIKey: UYVQRYISXXHQFN-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The IUPAC name of 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 18836350) is 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is CCOc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(C(C)C)cc2)s1.

What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

The InChIKey is UYVQRYISXXHQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-4-27-20-7-5-6-8-21(20)28-15-22(26)25-23-24-14-19(29-23)13-17-9-11-18(12-10-17)16(2)3/h5-12,14,16H,4,13,15H2,1-3H3,(H,24,25,26).

What are the key properties of 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?

2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18836350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).