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

C24H28N2O2S — CID 3483878

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

2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 3483878) has the molecular formula C24H28N2O2S and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
• PubChem CID: 3483878
• Molecular Formula: C24H28N2O2S
• Molecular Weight: 408.57 g/mol
• Exact Mass: 408.19
• IUPAC Name: 2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
• SMILES: CCCc1ccc(-c2csc(NC(=O)COc3cc(C(C)C)ccc3C)n2)cc1
• InChI: InChI=1S/C24H28N2O2S/c1-5-6-18-8-11-19(12-9-18)21-15-29-24(25-21)26-23(27)14-28-22-13-20(16(2)3)10-7-17(22)4/h7-13,15-16H,5-6,14H2,1-4H3,(H,25,26,27)
• InChIKey: SUFYWSZQMMADGZ-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.57
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide (CID 3483878) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide.

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

The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is CCCc1ccc(-c2csc(NC(=O)COc3cc(C(C)C)ccc3C)n2)cc1.

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

The InChIKey is SUFYWSZQMMADGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2S/c1-5-6-18-8-11-19(12-9-18)21-15-29-24(25-21)26-23(27)14-28-22-13-20(16(2)3)10-7-17(22)4/h7-13,15-16H,5-6,14H2,1-4H3,(H,25,26,27).

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

2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 408.57 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3483878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).