N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C25H20N4OS2 — CID 24548715

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 24548715) has the molecular formula C25H20N4OS2 and a molecular weight of 456.60 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 24548715
• Molecular Formula: C25H20N4OS2
• Molecular Weight: 456.60 g/mol
• Exact Mass: 456.11
• IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
• SMILES: O=C(Cc1csc(-c2cccs2)n1)NCc1cn(-c2ccccc2)nc1-c1ccccc1
• InChI: InChI=1S/C25H20N4OS2/c30-23(14-20-17-32-25(27-20)22-12-7-13-31-22)26-15-19-16-29(21-10-5-2-6-11-21)28-24(19)18-8-3-1-4-9-18/h1-13,16-17H,14-15H2,(H,26,30)
• InChIKey: MCTTXCJPKZOFBX-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.60
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?

The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 24548715) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?

The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2cccs2)n1)NCc1cn(-c2ccccc2)nc1-c1ccccc1.

What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?

The InChIKey is MCTTXCJPKZOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS2/c30-23(14-20-17-32-25(27-20)22-12-7-13-31-22)26-15-19-16-29(21-10-5-2-6-11-21)28-24(19)18-8-3-1-4-9-18/h1-13,16-17H,14-15H2,(H,26,30).

What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?

N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 456.60 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 24548715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).