2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

C18H16N8O2S — CID 2822811

IUPAC2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCn1c(Cc2nc(-c3cnccn3)no2)nnc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C18H16N8O2S/c1-26-14(9-16-22-17(25-28-16)13-10-19-7-8-20-13)23-24-18(26)29-11-15(27)21-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,21,27)
InChIKeyHUHUCJZYCGUERU-UHFFFAOYSA-N
MW408.45 g/mol
LogP1.98
Rot. Bonds7

About 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide

2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (PubChem CID 2822811) has the molecular formula C18H16N8O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
PubChem CID2822811
Molecular FormulaC18H16N8O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC Name2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
SMILESCn1c(Cc2nc(-c3cnccn3)no2)nnc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C18H16N8O2S/c1-26-14(9-16-22-17(25-28-16)13-10-19-7-8-20-13)23-24-18(26)29-11-15(27)21-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,21,27)
InChIKeyHUHUCJZYCGUERU-UHFFFAOYSA-N
XLogP1.98
TPSA124.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 1994361
N-(2,5-Dimethylphenyl)-2-{[4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetamide
CID 663112
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide
CID 2816029
2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide
CID 1841116
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
CID 3851861
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 2018937
N-(2-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
CID 5193287
N-(2,6-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 662897
2-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 974207
N-(4-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1834503
N-tert-butyl-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2120689
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 2816031

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide (CID 2822811) is 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is Cn1c(Cc2nc(-c3cnccn3)no2)nnc1SCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is HUHUCJZYCGUERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O2S/c1-26-14(9-16-22-17(25-28-16)13-10-19-7-8-20-13)23-24-18(26)29-11-15(27)21-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,21,27).
What are the key properties of 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide?
2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 408.45 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2822811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).