N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide

C24H19N5O2S2 — CID 24627856

About N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 24627856) has the molecular formula C24H19N5O2S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
• PubChem CID: 24627856
• Molecular Formula: C24H19N5O2S2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.10
• IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
• SMILES: CC(=O)Nc1ccc2nc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)sc2c1
• InChI: InChI=1S/C24H19N5O2S2/c1-15(30)25-17-9-10-19-21(12-17)33-24(26-19)27-23(31)18-14-29(13-16-6-3-2-4-7-16)28-22(18)20-8-5-11-32-20/h2-12,14H,13H2,1H3,(H,25,30)(H,26,27,31)
• InChIKey: NUKLYXBCRPZRBN-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 24627856) is N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)sc2c1.

What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?

The InChIKey is NUKLYXBCRPZRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S2/c1-15(30)25-17-9-10-19-21(12-17)33-24(26-19)27-23(31)18-14-29(13-16-6-3-2-4-7-16)28-22(18)20-8-5-11-32-20/h2-12,14H,13H2,1H3,(H,25,30)(H,26,27,31).

What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?

N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 24627856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).