2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide

C23H22N4O2S — CID 50750668

About 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide

2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide (PubChem CID 50750668) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide
• PubChem CID: 50750668
• Molecular Formula: C23H22N4O2S
• Molecular Weight: 418.52 g/mol
• Exact Mass: 418.15
• IUPAC Name: 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide
• SMILES: Cc1ccc(-c2csc(-n3[nH]c(C)c(CC(=O)Nc4ccccc4C)c3=O)n2)cc1
• InChI: InChI=1S/C23H22N4O2S/c1-14-8-10-17(11-9-14)20-13-30-23(25-20)27-22(29)18(16(3)26-27)12-21(28)24-19-7-5-4-6-15(19)2/h4-11,13,26H,12H2,1-3H3,(H,24,28)
• InChIKey: NLOKIHHRZPHXRW-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 79.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.52
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide?

The IUPAC name of 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide (CID 50750668) is 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide.

What is the SMILES notation for 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide?

The canonical SMILES for 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide is Cc1ccc(-c2csc(-n3[nH]c(C)c(CC(=O)Nc4ccccc4C)c3=O)n2)cc1.

What is the InChIKey of 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide?

The InChIKey is NLOKIHHRZPHXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-14-8-10-17(11-9-14)20-13-30-23(25-20)27-22(29)18(16(3)26-27)12-21(28)24-19-7-5-4-6-15(19)2/h4-11,13,26H,12H2,1-3H3,(H,24,28).

What are the key properties of 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide?

2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 50750668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).