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

C26H21N5O2S — CID 138594864

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

N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide (PubChem CID 138594864) has the molecular formula C26H21N5O2S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
• PubChem CID: 138594864
• Molecular Formula: C26H21N5O2S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.14
• IUPAC Name: N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
• SMILES: CC(=O)c1cccc(NC(=O)Cc2cc(-c3ccc4ncsc4c3)n(-c3cccc(C)n3)n2)c1
• InChI: InChI=1S/C26H21N5O2S/c1-16-5-3-8-25(28-16)31-23(19-9-10-22-24(12-19)34-15-27-22)13-21(30-31)14-26(33)29-20-7-4-6-18(11-20)17(2)32/h3-13,15H,14H2,1-2H3,(H,29,33)
• InChIKey: XGPMIFQOTNRGJY-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide (CID 138594864) is N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide.

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

The canonical SMILES for N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide is CC(=O)c1cccc(NC(=O)Cc2cc(-c3ccc4ncsc4c3)n(-c3cccc(C)n3)n2)c1.

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

The InChIKey is XGPMIFQOTNRGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2S/c1-16-5-3-8-25(28-16)31-23(19-9-10-22-24(12-19)34-15-27-22)13-21(30-31)14-26(33)29-20-7-4-6-18(11-20)17(2)32/h3-13,15H,14H2,1-2H3,(H,29,33).

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

N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide has a molecular weight of 467.55 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetylphenyl)-2-[5-(1,3-benzothiazol-6-yl)-1-(6-methyl-2-pyridinyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 138594864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).