N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C15H14N4O2S — CID 2080127

IUPACN-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C15H14N4O2S/c1-21-12-7-3-2-6-11(12)16-14(20)10-22-15-18-17-13-8-4-5-9-19(13)15/h2-9H,10H2,1H3,(H,16,20)
InChIKeyGTFUEHUEZFWGFB-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.47
Rot. Bonds5

About N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 2080127) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID2080127
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc2ccccn12
InChIInChI=1S/C15H14N4O2S/c1-21-12-7-3-2-6-11(12)16-14(20)10-22-15-18-17-13-8-4-5-9-19(13)15/h2-9H,10H2,1H3,(H,16,20)
InChIKeyGTFUEHUEZFWGFB-UHFFFAOYSA-N
XLogP2.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 2080127) is N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is COc1ccccc1NC(=O)CSc1nnc2ccccn12.
What is the InChIKey of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is GTFUEHUEZFWGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-21-12-7-3-2-6-11(12)16-14(20)10-22-15-18-17-13-8-4-5-9-19(13)15/h2-9H,10H2,1H3,(H,16,20).
What are the key properties of N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 2080127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).