N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide

C24H23N3O2S — CID 40519172

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 40519172) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 40519172
• Molecular Formula: C24H23N3O2S
• Molecular Weight: 417.53 g/mol
• Exact Mass: 417.15
• IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide
• SMILES: CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C)c(C)c3)nc12
• InChI: InChI=1S/C24H23N3O2S/c1-4-29-20-9-7-10-21-22(20)26-24(30-21)27(15-19-8-5-6-13-25-19)23(28)18-12-11-16(2)17(3)14-18/h5-14H,4,15H2,1-3H3
• InChIKey: BBILIJYHIYZCSB-UHFFFAOYSA-N
• XLogP: 5.55
• 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	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide (CID 40519172) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide is CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C)c(C)c3)nc12.

What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is BBILIJYHIYZCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-4-29-20-9-7-10-21-22(20)26-24(30-21)27(15-19-8-5-6-13-25-19)23(28)18-12-11-16(2)17(3)14-18/h5-14H,4,15H2,1-3H3.

What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide?

N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 40519172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).