N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C24H20N4O3S — CID 43987017

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

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 43987017) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 43987017
• Molecular Formula: C24H20N4O3S
• Molecular Weight: 444.52 g/mol
• Exact Mass: 444.13
• IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
• SMILES: CCc1ccc2nc(N(Cc3ccccn3)C(=O)Cn3c(=O)oc4ccccc43)sc2c1
• InChI: InChI=1S/C24H20N4O3S/c1-2-16-10-11-18-21(13-16)32-23(26-18)28(14-17-7-5-6-12-25-17)22(29)15-27-19-8-3-4-9-20(19)31-24(27)30/h3-13H,2,14-15H2,1H3
• InChIKey: RRBNSAHRQIYTGA-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 81.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.52
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 43987017) is N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

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

The canonical SMILES for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is CCc1ccc2nc(N(Cc3ccccn3)C(=O)Cn3c(=O)oc4ccccc43)sc2c1.

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

The InChIKey is RRBNSAHRQIYTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-2-16-10-11-18-21(13-16)32-23(26-18)28(14-17-7-5-6-12-25-17)22(29)15-27-19-8-3-4-9-20(19)31-24(27)30/h3-13H,2,14-15H2,1H3.

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

N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 444.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 43987017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).