N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide

C23H21N3O2S — CID 40519364

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 40519364) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 40519364
• Molecular Formula: C23H21N3O2S
• Molecular Weight: 403.51 g/mol
• Exact Mass: 403.14
• IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
• SMILES: Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)COc3ccccc3)nc2c1
• InChI: InChI=1S/C23H21N3O2S/c1-16-12-17(2)22-20(13-16)25-23(29-22)26(14-18-8-6-7-11-24-18)21(27)15-28-19-9-4-3-5-10-19/h3-13H,14-15H2,1-2H3
• InChIKey: GSECXJZNQUBNJY-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 55.32 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.51
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide (CID 40519364) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide is Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)COc3ccccc3)nc2c1.

What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is GSECXJZNQUBNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-16-12-17(2)22-20(13-16)25-23(29-22)26(14-18-8-6-7-11-24-18)21(27)15-28-19-9-4-3-5-10-19/h3-13H,14-15H2,1-2H3.

What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide?

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 40519364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).