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

C24H19N5O2S2 — CID 60557678

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

N-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 60557678) has the molecular formula C24H19N5O2S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
• PubChem CID: 60557678
• Molecular Formula: C24H19N5O2S2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.10
• IUPAC Name: N-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide
• SMILES: CC(=O)Nc1nc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)cc2s1
• InChI: InChI=1S/C24H19N5O2S2/c1-15(30)25-24-27-19-10-9-17(12-21(19)33-24)26-23(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,26,31)(H,25,27,30)
• InChIKey: KXDMWEIWTWSJPF-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-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 60557678) is N-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide.

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

The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is CC(=O)Nc1nc2ccc(NC(=O)c3cn(Cc4ccccc4)nc3-c3cccs3)cc2s1.

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

The InChIKey is KXDMWEIWTWSJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S2/c1-15(30)25-24-27-19-10-9-17(12-21(19)33-24)26-23(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,26,31)(H,25,27,30).

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

N-(2-acetamido-1,3-benzothiazol-6-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-(2-acetamido-1,3-benzothiazol-6-yl)-1-benzyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 60557678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).