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

C25H20N4OS2 — CID 27864279

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

N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 27864279) 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-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 27864279
• 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-3-yl-1,3-thiazol-4-yl)acetamide
• SMILES: O=C(Cc1csc(-c2ccsc2)n1)NCc1cn(-c2ccccc2)nc1-c1ccccc1
• InChI: InChI=1S/C25H20N4OS2/c30-23(13-21-17-32-25(27-21)19-11-12-31-16-19)26-14-20-15-29(22-9-5-2-6-10-22)28-24(20)18-7-3-1-4-8-18/h1-12,15-17H,13-14H2,(H,26,30)
• InChIKey: QUSUREKFWVVGEI-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-3-yl-1,3-thiazol-4-yl)acetamide?

The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 27864279) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

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

The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)NCc1cn(-c2ccccc2)nc1-c1ccccc1.

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

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

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

N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-thiophen-3-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-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 27864279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).