2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C17H15F3N4O2S — CID 126469968

About 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469968) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 126469968
• Molecular Formula: C17H15F3N4O2S
• Molecular Weight: 396.39 g/mol
• Exact Mass: 396.09
• IUPAC Name: 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: Cc1sc2ncc(C(=O)NC(Cc3ccccn3)C(F)(F)F)c(=O)n2c1C
• InChI: InChI=1S/C17H15F3N4O2S/c1-9-10(2)27-16-22-8-12(15(26)24(9)16)14(25)23-13(17(18,19)20)7-11-5-3-4-6-21-11/h3-6,8,13H,7H2,1-2H3,(H,23,25)
• InChIKey: OIEWJOKBQQAEFD-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.39
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469968) is 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)NC(Cc3ccccn3)C(F)(F)F)c(=O)n2c1C.

What is the InChIKey of 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is OIEWJOKBQQAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-9-10(2)27-16-22-8-12(15(26)24(9)16)14(25)23-13(17(18,19)20)7-11-5-3-4-6-21-11/h3-6,8,13H,7H2,1-2H3,(H,23,25).

What are the key properties of 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-5-oxo-N-(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).