2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide

C23H30N4O2S — CID 46265496

About 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide

2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 46265496) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
• PubChem CID: 46265496
• Molecular Formula: C23H30N4O2S
• Molecular Weight: 426.59 g/mol
• Exact Mass: 426.21
• IUPAC Name: 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide
• SMILES: CCOc1ccc(NC(=O)Cc2csc(-n3nc(C)c(CCC(C)C)c3C)n2)cc1
• InChI: InChI=1S/C23H30N4O2S/c1-6-29-20-10-8-18(9-11-20)24-22(28)13-19-14-30-23(25-19)27-17(5)21(16(4)26-27)12-7-15(2)3/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,24,28)
• InChIKey: UOAIAIPXMYAWAG-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.59
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide?

The IUPAC name of 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide (CID 46265496) is 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide.

What is the SMILES notation for 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide?

The canonical SMILES for 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cc2csc(-n3nc(C)c(CCC(C)C)c3C)n2)cc1.

What is the InChIKey of 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide?

The InChIKey is UOAIAIPXMYAWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-6-29-20-10-8-18(9-11-20)24-22(28)13-19-14-30-23(25-19)27-17(5)21(16(4)26-27)12-7-15(2)3/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,24,28).

What are the key properties of 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide?

2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 426.59 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3,5-dimethyl-4-(3-methylbutyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 46265496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).