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

C12H13N7OS — CID 2118862

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1
InChIInChI=1S/C12H13N7OS/c1-4-8-16-17-12(21-8)15-10(20)9-14-11-13-6(2)5-7(3)19(11)18-9/h5H,4H2,1-3H3,(H,15,17,20)
InChIKeyWJTLOPSMCIDZLM-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.41
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2118862) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2118862
Molecular FormulaC12H13N7OS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1
InChIInChI=1S/C12H13N7OS/c1-4-8-16-17-12(21-8)15-10(20)9-14-11-13-6(2)5-7(3)19(11)18-9/h5H,4H2,1-3H3,(H,15,17,20)
InChIKeyWJTLOPSMCIDZLM-UHFFFAOYSA-N
XLogP1.41
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
5,7-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2107464
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
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)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2397006
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
7-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2505294
N-(5-butyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2564268
5,7-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43068590
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 60507037

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2118862) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCc1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is WJTLOPSMCIDZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7OS/c1-4-8-16-17-12(21-8)15-10(20)9-14-11-13-6(2)5-7(3)19(11)18-9/h5H,4H2,1-3H3,(H,15,17,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 303.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2118862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).