2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide

C17H14F3N3O4S — CID 71702507

About 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide

2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 71702507) has the molecular formula C17H14F3N3O4S and a molecular weight of 413.38 g/mol. Its IUPAC name is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
• PubChem CID: 71702507
• Molecular Formula: C17H14F3N3O4S
• Molecular Weight: 413.38 g/mol
• Exact Mass: 413.07
• IUPAC Name: 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
• SMILES: Cc1cc(=O)c(OCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cn1C
• InChI: InChI=1S/C17H14F3N3O4S/c1-9-5-12(24)13(7-23(9)2)26-8-15(25)22-16-21-11-4-3-10(6-14(11)28-16)27-17(18,19)20/h3-7H,8H2,1-2H3,(H,21,22,25)
• InChIKey: NGMOYAPWWJNTJH-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.38
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?

The IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (CID 71702507) is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.

What is the SMILES notation for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?

The canonical SMILES for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is Cc1cc(=O)c(OCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cn1C.

What is the InChIKey of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?

The InChIKey is NGMOYAPWWJNTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O4S/c1-9-5-12(24)13(7-23(9)2)26-8-15(25)22-16-21-11-4-3-10(6-14(11)28-16)27-17(18,19)20/h3-7H,8H2,1-2H3,(H,21,22,25).

What are the key properties of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?

2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 413.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 71702507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).