2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

C16H17F3N6OS — CID 18152911

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C16H17F3N6OS/c1-7(2)11-6-27-15(21-11)22-12(26)5-10-8(3)20-14-23-13(16(17,18)19)24-25(14)9(10)4/h6-7H,5H2,1-4H3,(H,21,22,26)
InChIKeyXLQQJPGYLVSHEJ-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.52
Rot. Bonds4

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 18152911) has the molecular formula C16H17F3N6OS and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID18152911
Molecular FormulaC16H17F3N6OS
Molecular Weight398.41 g/mol
Exact Mass398.11
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C16H17F3N6OS/c1-7(2)11-6-27-15(21-11)22-12(26)5-10-8(3)20-14-23-13(16(17,18)19)24-25(14)9(10)4/h6-7H,5H2,1-4H3,(H,21,22,26)
InChIKeyXLQQJPGYLVSHEJ-UHFFFAOYSA-N
XLogP3.52
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 18152911) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XLQQJPGYLVSHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6OS/c1-7(2)11-6-27-15(21-11)22-12(26)5-10-8(3)20-14-23-13(16(17,18)19)24-25(14)9(10)4/h6-7H,5H2,1-4H3,(H,21,22,26).
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 398.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 18152911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).