N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide

C14H14N4OS — CID 53166322

IUPACN-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide
SMILESCCc1nnc2c(NC(=O)Cc3ccsc3)cccn12
InChIInChI=1S/C14H14N4OS/c1-2-12-16-17-14-11(4-3-6-18(12)14)15-13(19)8-10-5-7-20-9-10/h3-7,9H,2,8H2,1H3,(H,15,19)
InChIKeyXTXZIUHDKQXLQU-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.53
Rot. Bonds4

About N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide

N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide (PubChem CID 53166322) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide
PubChem CID53166322
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide
SMILESCCc1nnc2c(NC(=O)Cc3ccsc3)cccn12
InChIInChI=1S/C14H14N4OS/c1-2-12-16-17-14-11(4-3-6-18(12)14)15-13(19)8-10-5-7-20-9-10/h3-7,9H,2,8H2,1H3,(H,15,19)
InChIKeyXTXZIUHDKQXLQU-UHFFFAOYSA-N
XLogP2.53
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)benzamide
CID 137227337
2-[[2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-3-carboxamide
CID 2622550
2-thiophen-2-yl-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7217784
N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]cyclopentanecarboxamide
CID 17582153
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
(8-Amino-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 20620157
N-(6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
CID 25129734
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 122445528
N-[3-[6-(2-thienyl)imidazo [1,2-b]pyridazin-3-yl]phenyl] acetamide
CID 126673008
N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)thiophene-2-carboxamide
CID 752234
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2374635
2,7-dimethyl-N'-(2-thienylmethylene)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 5344319

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide (CID 53166322) is N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide is CCc1nnc2c(NC(=O)Cc3ccsc3)cccn12.
What is the InChIKey of N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide?
The InChIKey is XTXZIUHDKQXLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-2-12-16-17-14-11(4-3-6-18(12)14)15-13(19)8-10-5-7-20-9-10/h3-7,9H,2,8H2,1H3,(H,15,19).
What are the key properties of N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide?
N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide has a molecular weight of 286.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 53166322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).