2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide

C16H15BrN4OS — CID 154857827

IUPAC2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nnc2ccc(Br)cn12)c1ccccc1
InChIInChI=1S/C16H15BrN4OS/c1-2-20(13-6-4-3-5-7-13)15(22)11-23-16-19-18-14-9-8-12(17)10-21(14)16/h3-10H,2,11H2,1H3
InChIKeyXXNURYRFKQRRKK-UHFFFAOYSA-N
MW391.29 g/mol
LogP3.64
Rot. Bonds5

About 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide

2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide (PubChem CID 154857827) has the molecular formula C16H15BrN4OS and a molecular weight of 391.29 g/mol. Its IUPAC name is 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide
PubChem CID154857827
Molecular FormulaC16H15BrN4OS
Molecular Weight391.29 g/mol
Exact Mass390.01
IUPAC Name2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CSc1nnc2ccc(Br)cn12)c1ccccc1
InChIInChI=1S/C16H15BrN4OS/c1-2-20(13-6-4-3-5-7-13)15(22)11-23-16-19-18-14-9-8-12(17)10-21(14)16/h3-10H,2,11H2,1H3
InChIKeyXXNURYRFKQRRKK-UHFFFAOYSA-N
XLogP3.64
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide with MolForge

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Related Compounds

2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide
CID 75468154
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide
CID 40604888
N-ethyl-2-[[5-(2-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 137094405
N-ethyl-2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 137058488
N-phenyl-N-propan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7558393
N-ethyl-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 2586522
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 112821940
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 112781178
N-benzyl-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7889037
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 2610496
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
2-[[6-(dimethylsulfamoyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N,N-diethylacetamide
CID 75468155

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide (CID 154857827) is 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide is CCN(C(=O)CSc1nnc2ccc(Br)cn12)c1ccccc1.
What is the InChIKey of 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
The InChIKey is XXNURYRFKQRRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4OS/c1-2-20(13-6-4-3-5-7-13)15(22)11-23-16-19-18-14-9-8-12(17)10-21(14)16/h3-10H,2,11H2,1H3.
What are the key properties of 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide?
2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide has a molecular weight of 391.29 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 154857827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).