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

C11H11N7OS — CID 2397006

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1
InChIInChI=1S/C11H11N7OS/c1-3-7-15-16-11(20-7)14-9(19)8-13-10-12-5-4-6(2)18(10)17-8/h4-5H,3H2,1-2H3,(H,14,16,19)
InChIKeyPKZSUDAGKMLSLW-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.10
Rot. Bonds3

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2397006) has the molecular formula C11H11N7OS and a molecular weight of 289.32 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2397006
Molecular FormulaC11H11N7OS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1
InChIInChI=1S/C11H11N7OS/c1-3-7-15-16-11(20-7)14-9(19)8-13-10-12-5-4-6(2)18(10)17-8/h4-5H,3H2,1-2H3,(H,14,16,19)
InChIKeyPKZSUDAGKMLSLW-UHFFFAOYSA-N
XLogP1.10
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 2397006) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[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)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PKZSUDAGKMLSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7OS/c1-3-7-15-16-11(20-7)14-9(19)8-13-10-12-5-4-6(2)18(10)17-8/h4-5H,3H2,1-2H3,(H,14,16,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.10, 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)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2397006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).