2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C23H20FN3OS — CID 41342727

About 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 41342727) has the molecular formula C23H20FN3OS and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 41342727
• Molecular Formula: C23H20FN3OS
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.13
• IUPAC Name: 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cc1ccc(C)c(CC(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c1
• InChI: InChI=1S/C23H20FN3OS/c1-15-6-7-16(2)17(11-15)12-22(28)27(14-19-5-3-4-10-25-19)23-26-20-9-8-18(24)13-21(20)29-23/h3-11,13H,12,14H2,1-2H3
• InChIKey: QGXKDYTYGPTQOK-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 41342727) is 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is Cc1ccc(C)c(CC(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c1.

What is the InChIKey of 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is QGXKDYTYGPTQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3OS/c1-15-6-7-16(2)17(11-15)12-22(28)27(14-19-5-3-4-10-25-19)23-26-20-9-8-18(24)13-21(20)29-23/h3-11,13H,12,14H2,1-2H3.

What are the key properties of 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 405.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-dimethylphenyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 41342727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).