2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide

C17H16N6O2S — CID 53179572

IUPAC2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1noc(-c2ccc3nnc(CC(=O)NCCc4cccs4)n3c2)n1
InChIInChI=1S/C17H16N6O2S/c1-11-19-17(25-22-11)12-4-5-14-20-21-15(23(14)10-12)9-16(24)18-7-6-13-3-2-8-26-13/h2-5,8,10H,6-7,9H2,1H3,(H,18,24)
InChIKeyCWWJXPBZKVPHNT-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.05
Rot. Bonds6

About 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 53179572) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID53179572
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1noc(-c2ccc3nnc(CC(=O)NCCc4cccs4)n3c2)n1
InChIInChI=1S/C17H16N6O2S/c1-11-19-17(25-22-11)12-4-5-14-20-21-15(23(14)10-12)9-16(24)18-7-6-13-3-2-8-26-13/h2-5,8,10H,6-7,9H2,1H3,(H,18,24)
InChIKeyCWWJXPBZKVPHNT-UHFFFAOYSA-N
XLogP2.05
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 53179572) is 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide is Cc1noc(-c2ccc3nnc(CC(=O)NCCc4cccs4)n3c2)n1.
What is the InChIKey of 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is CWWJXPBZKVPHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-11-19-17(25-22-11)12-4-5-14-20-21-15(23(14)10-12)9-16(24)18-7-6-13-3-2-8-26-13/h2-5,8,10H,6-7,9H2,1H3,(H,18,24).
What are the key properties of 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 368.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 53179572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).