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

C11H10N6OS — CID 2468986

IUPAC5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3nccs3)nc2n1
InChIInChI=1S/C11H10N6OS/c1-6-5-7(2)17-10(13-6)14-8(16-17)9(18)15-11-12-3-4-19-11/h3-5H,1-2H3,(H,12,15,18)
InChIKeyJHQIYTNTYGUGOE-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.45
Rot. Bonds2

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

5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2468986) has the molecular formula C11H10N6OS and a molecular weight of 274.31 g/mol. Its IUPAC name is 5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2468986
Molecular FormulaC11H10N6OS
Molecular Weight274.31 g/mol
Exact Mass274.06
IUPAC Name5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3nccs3)nc2n1
InChIInChI=1S/C11H10N6OS/c1-6-5-7(2)17-10(13-6)14-8(16-17)9(18)15-11-12-3-4-19-11/h3-5H,1-2H3,(H,12,15,18)
InChIKeyJHQIYTNTYGUGOE-UHFFFAOYSA-N
XLogP1.45
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.45
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-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2468986) is 5,7-dimethyl-N-(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-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3nccs3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JHQIYTNTYGUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS/c1-6-5-7(2)17-10(13-6)14-8(16-17)9(18)15-11-12-3-4-19-11/h3-5H,1-2H3,(H,12,15,18).
What are the key properties of 5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 274.31 g/mol, XLogP of 1.45, 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-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2468986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).