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

C19H24N4OS2 — CID 46955487

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

4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide (PubChem CID 46955487) has the molecular formula C19H24N4OS2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide.

Molecular Properties

• Compound Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
• PubChem CID: 46955487
• Molecular Formula: C19H24N4OS2
• Molecular Weight: 388.56 g/mol
• Exact Mass: 388.14
• IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide
• SMILES: Cc1csc(C(Cc2ccsc2)NC(=O)CCCn2nc(C)cc2C)n1
• InChI: InChI=1S/C19H24N4OS2/c1-13-9-15(3)23(22-13)7-4-5-18(24)21-17(10-16-6-8-25-12-16)19-20-14(2)11-26-19/h6,8-9,11-12,17H,4-5,7,10H2,1-3H3,(H,21,24)
• InChIKey: MJTWKGHLFGYYLN-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.56
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide (CID 46955487) is 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide.

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

The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide is Cc1csc(C(Cc2ccsc2)NC(=O)CCCn2nc(C)cc2C)n1.

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

The InChIKey is MJTWKGHLFGYYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS2/c1-13-9-15(3)23(22-13)7-4-5-18(24)21-17(10-16-6-8-25-12-16)19-20-14(2)11-26-19/h6,8-9,11-12,17H,4-5,7,10H2,1-3H3,(H,21,24).

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

4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide has a molecular weight of 388.56 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]butanamide is sourced from PubChem (CID 46955487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).