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

C20H17F3N6OS — CID 43041846

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c2ccccc2)n1
InChIInChI=1S/C20H17F3N6OS/c1-11-10-31-19(24-11)28(14-7-5-4-6-8-14)16(30)9-15-12(2)25-18-26-17(20(21,22)23)27-29(18)13(15)3/h4-8,10H,9H2,1-3H3
InChIKeyUEHORHVGSUIGPT-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.43
Rot. Bonds4

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

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (PubChem CID 43041846) has the molecular formula C20H17F3N6OS and a molecular weight of 446.46 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
PubChem CID43041846
Molecular FormulaC20H17F3N6OS
Molecular Weight446.46 g/mol
Exact Mass446.11
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
SMILESCc1csc(N(C(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c2ccccc2)n1
InChIInChI=1S/C20H17F3N6OS/c1-11-10-31-19(24-11)28(14-7-5-4-6-8-14)16(30)9-15-12(2)25-18-26-17(20(21,22)23)27-29(18)13(15)3/h4-8,10H,9H2,1-3H3
InChIKeyUEHORHVGSUIGPT-UHFFFAOYSA-N
XLogP4.43
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-benzyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-ethylacetamide
CID 18145012
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-phenylpropanamide
CID 36676315
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 47022174
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7917606
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylmethoxyacetamide
CID 18146763
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 38035306
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 55441756
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-phenylpropanamide
CID 17460504
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-naphthalen-2-ylacetamide
CID 24615564
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 30237729
(4-methylphenyl) 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 24615566
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253

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-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide (CID 43041846) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is Cc1csc(N(C(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)c2ccccc2)n1.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
The InChIKey is UEHORHVGSUIGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6OS/c1-11-10-31-19(24-11)28(14-7-5-4-6-8-14)16(30)9-15-12(2)25-18-26-17(20(21,22)23)27-29(18)13(15)3/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide has a molecular weight of 446.46 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 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-methyl-1,3-thiazol-2-yl)-N-phenylacetamide is sourced from PubChem (CID 43041846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).