5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H9F3N6OS — CID 43068590

IUPAC5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3nc(C(F)(F)F)cs3)nc2n1
InChIInChI=1S/C12H9F3N6OS/c1-5-3-6(2)21-10(16-5)18-8(20-21)9(22)19-11-17-7(4-23-11)12(13,14)15/h3-4H,1-2H3,(H,17,19,22)
InChIKeyLYFJGMHHXRAEBB-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.47
Rot. Bonds2

About 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 43068590) has the molecular formula C12H9F3N6OS and a molecular weight of 342.31 g/mol. Its IUPAC name is 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID43068590
Molecular FormulaC12H9F3N6OS
Molecular Weight342.31 g/mol
Exact Mass342.05
IUPAC Name5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3nc(C(F)(F)F)cs3)nc2n1
InChIInChI=1S/C12H9F3N6OS/c1-5-3-6(2)21-10(16-5)18-8(20-21)9(22)19-11-17-7(4-23-11)12(13,14)15/h3-4H,1-2H3,(H,17,19,22)
InChIKeyLYFJGMHHXRAEBB-UHFFFAOYSA-N
XLogP2.47
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 43068590) is 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3nc(C(F)(F)F)cs3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LYFJGMHHXRAEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6OS/c1-5-3-6(2)21-10(16-5)18-8(20-21)9(22)19-11-17-7(4-23-11)12(13,14)15/h3-4H,1-2H3,(H,17,19,22).
What are the key properties of 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 342.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 43068590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).