N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide

C25H25FN4OS — CID 46269651

About N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide

N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide (PubChem CID 46269651) has the molecular formula C25H25FN4OS and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
• PubChem CID: 46269651
• Molecular Formula: C25H25FN4OS
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.17
• IUPAC Name: N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide
• SMILES: CCc1ccccc1NC(=O)Cc1csc(-n2nc(C)c(Cc3cccc(F)c3)c2C)n1
• InChI: InChI=1S/C25H25FN4OS/c1-4-19-9-5-6-11-23(19)28-24(31)14-21-15-32-25(27-21)30-17(3)22(16(2)29-30)13-18-8-7-10-20(26)12-18/h5-12,15H,4,13-14H2,1-3H3,(H,28,31)
• InChIKey: NXUVWDYWTJQBDN-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?

The IUPAC name of N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide (CID 46269651) is N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide.

What is the SMILES notation for N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?

The canonical SMILES for N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide is CCc1ccccc1NC(=O)Cc1csc(-n2nc(C)c(Cc3cccc(F)c3)c2C)n1.

What is the InChIKey of N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?

The InChIKey is NXUVWDYWTJQBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4OS/c1-4-19-9-5-6-11-23(19)28-24(31)14-21-15-32-25(27-21)30-17(3)22(16(2)29-30)13-18-8-7-10-20(26)12-18/h5-12,15H,4,13-14H2,1-3H3,(H,28,31).

What are the key properties of N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide?

N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 448.57 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethylphenyl)-2-[2-[4-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46269651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).