2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C24H23N3O2S — CID 41342954

About 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 41342954) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 41342954
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: COc1ccc2sc(N(Cc3ccccn3)C(=O)Cc3ccc(C)c(C)c3)nc2c1
• InChI: InChI=1S/C24H23N3O2S/c1-16-7-8-18(12-17(16)2)13-23(28)27(15-19-6-4-5-11-25-19)24-26-21-14-20(29-3)9-10-22(21)30-24/h4-12,14H,13,15H2,1-3H3
• InChIKey: LUAVKKMDSQKIIS-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.53
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 41342954) is 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc2sc(N(Cc3ccccn3)C(=O)Cc3ccc(C)c(C)c3)nc2c1.

What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is LUAVKKMDSQKIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-16-7-8-18(12-17(16)2)13-23(28)27(15-19-6-4-5-11-25-19)24-26-21-14-20(29-3)9-10-22(21)30-24/h4-12,14H,13,15H2,1-3H3.

What are the key properties of 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?

2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 41342954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).