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

C12H12N6OS — CID 2107464

IUPAC5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1csc(NC(=O)c2nc3nc(C)cc(C)n3n2)n1
InChIInChI=1S/C12H12N6OS/c1-6-4-8(3)18-11(13-6)15-9(17-18)10(19)16-12-14-7(2)5-20-12/h4-5H,1-3H3,(H,14,16,19)
InChIKeyOYRJUWYZTSUEPO-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.76
Rot. Bonds2

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

5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2107464) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2107464
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1csc(NC(=O)c2nc3nc(C)cc(C)n3n2)n1
InChIInChI=1S/C12H12N6OS/c1-6-4-8(3)18-11(13-6)15-9(17-18)10(19)16-12-14-7(2)5-20-12/h4-5H,1-3H3,(H,14,16,19)
InChIKeyOYRJUWYZTSUEPO-UHFFFAOYSA-N
XLogP1.76
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5,7-Dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 24792315
7-methyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2093872
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2466243
5,7-dimethyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2468986
7-methyl-N-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2531445
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088461
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8002410
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2118862
5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2439271
5,7-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 131906678
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16622523
5,7-bis(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449235

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2107464) is 5,7-dimethyl-N-(4-methyl-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-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1csc(NC(=O)c2nc3nc(C)cc(C)n3n2)n1.
What is the InChIKey of 5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OYRJUWYZTSUEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-6-4-8(3)18-11(13-6)15-9(17-18)10(19)16-12-14-7(2)5-20-12/h4-5H,1-3H3,(H,14,16,19).
What are the key properties of 5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 288.34 g/mol, XLogP of 1.76, 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-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2107464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).