3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide

C16H18N4OS2 — CID 42109154

About 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide

3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide (PubChem CID 42109154) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide
• PubChem CID: 42109154
• Molecular Formula: C16H18N4OS2
• Molecular Weight: 346.48 g/mol
• Exact Mass: 346.09
• IUPAC Name: 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide
• SMILES: Cc1cc(NC(=O)CC(C)C)n(-c2nc(-c3cccs3)cs2)n1
• InChI: InChI=1S/C16H18N4OS2/c1-10(2)7-15(21)18-14-8-11(3)19-20(14)16-17-12(9-23-16)13-5-4-6-22-13/h4-6,8-10H,7H2,1-3H3,(H,18,21)
• InChIKey: GQKJZDDCXIEZFM-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.48
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide?

The IUPAC name of 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide (CID 42109154) is 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide.

What is the SMILES notation for 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide?

The canonical SMILES for 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide is Cc1cc(NC(=O)CC(C)C)n(-c2nc(-c3cccs3)cs2)n1.

What is the InChIKey of 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide?

The InChIKey is GQKJZDDCXIEZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-10(2)7-15(21)18-14-8-11(3)19-20(14)16-17-12(9-23-16)13-5-4-6-22-13/h4-6,8-10H,7H2,1-3H3,(H,18,21).

What are the key properties of 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide?

3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide has a molecular weight of 346.48 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]butanamide is sourced from PubChem (CID 42109154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).