2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide

C24H20N6O3S2 — CID 138594887

About 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide

2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 138594887) has the molecular formula C24H20N6O3S2 and a molecular weight of 504.60 g/mol. Its IUPAC name is 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide
• PubChem CID: 138594887
• Molecular Formula: C24H20N6O3S2
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.10
• IUPAC Name: 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide
• SMILES: Cc1cccc(-n2nc(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2-c2ccc3ncsc3c2)n1
• InChI: InChI=1S/C24H20N6O3S2/c1-15-3-2-4-23(27-15)30-21(16-5-10-20-22(11-16)34-14-26-20)12-18(29-30)13-24(31)28-17-6-8-19(9-7-17)35(25,32)33/h2-12,14H,13H2,1H3,(H,28,31)(H2,25,32,33)
• InChIKey: DAQFNZHYCPUWII-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 132.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.60
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide?

The IUPAC name of 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide (CID 138594887) is 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide.

What is the SMILES notation for 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide?

The canonical SMILES for 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide is Cc1cccc(-n2nc(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2-c2ccc3ncsc3c2)n1.

What is the InChIKey of 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide?

The InChIKey is DAQFNZHYCPUWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S2/c1-15-3-2-4-23(27-15)30-21(16-5-10-20-22(11-16)34-14-26-20)12-18(29-30)13-24(31)28-17-6-8-19(9-7-17)35(25,32)33/h2-12,14H,13H2,1H3,(H,28,31)(H2,25,32,33).

What are the key properties of 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide?

2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 504.60 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 138594887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).