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

C25H25N3OS — CID 41342783

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

2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 41342783) has the molecular formula C25H25N3OS and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 41342783
• Molecular Formula: C25H25N3OS
• Molecular Weight: 415.56 g/mol
• Exact Mass: 415.17
• IUPAC Name: 2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
• SMILES: CCc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3cc(C)ccc3C)sc2c1
• InChI: InChI=1S/C25H25N3OS/c1-4-19-9-10-22-23(13-19)30-25(27-22)28(16-20-6-5-11-26-15-20)24(29)14-21-12-17(2)7-8-18(21)3/h5-13,15H,4,14,16H2,1-3H3
• InChIKey: LZCIYLUVJYKVNT-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.56
LogP ≤ 5	5.65
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-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of 2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 41342783) is 2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide.

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

The canonical SMILES for 2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide is CCc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3cc(C)ccc3C)sc2c1.

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

The InChIKey is LZCIYLUVJYKVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3OS/c1-4-19-9-10-22-23(13-19)30-25(27-22)28(16-20-6-5-11-26-15-20)24(29)14-21-12-17(2)7-8-18(21)3/h5-13,15H,4,14,16H2,1-3H3.

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

2-(2,5-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 415.56 g/mol, XLogP of 5.65, 6 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-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 41342783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).