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

C15H19N7OS — CID 2439271

IUPAC5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1
InChIInChI=1S/C15H19N7OS/c1-5-10(6-2)13-19-20-15(24-13)18-12(23)11-17-14-16-8(3)7-9(4)22(14)21-11/h7,10H,5-6H2,1-4H3,(H,18,20,23)
InChIKeyZXTHUPGSRKIVLR-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.75
Rot. Bonds5

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

5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2439271) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2439271
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1
InChIInChI=1S/C15H19N7OS/c1-5-10(6-2)13-19-20-15(24-13)18-12(23)11-17-14-16-8(3)7-9(4)22(14)21-11/h7,10H,5-6H2,1-4H3,(H,18,20,23)
InChIKeyZXTHUPGSRKIVLR-UHFFFAOYSA-N
XLogP2.75
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.75
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
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
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2397006
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
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 86843780

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 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) is 5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCC(CC)c1nnc(NC(=O)c2nc3nc(C)cc(C)n3n2)s1.
What is the InChIKey of 5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZXTHUPGSRKIVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-5-10(6-2)13-19-20-15(24-13)18-12(23)11-17-14-16-8(3)7-9(4)22(14)21-11/h7,10H,5-6H2,1-4H3,(H,18,20,23).
What are the key properties of 5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2439271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).