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

C16H14N4O2S — CID 2079707

IUPAC2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide
SMILESO=C(CSc1nnc2ccccn12)NC(=O)Cc1ccccc1
InChIInChI=1S/C16H14N4O2S/c21-14(10-12-6-2-1-3-7-12)17-15(22)11-23-16-19-18-13-8-4-5-9-20(13)16/h1-9H,10-11H2,(H,17,21,22)
InChIKeyKNRFKQSYEFTCFM-UHFFFAOYSA-N
MW326.38 g/mol
LogP1.71
Rot. Bonds5

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

2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide (PubChem CID 2079707) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide
PubChem CID2079707
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide
SMILESO=C(CSc1nnc2ccccn12)NC(=O)Cc1ccccc1
InChIInChI=1S/C16H14N4O2S/c21-14(10-12-6-2-1-3-7-12)17-15(22)11-23-16-19-18-13-8-4-5-9-20(13)16/h1-9H,10-11H2,(H,17,21,22)
InChIKeyKNRFKQSYEFTCFM-UHFFFAOYSA-N
XLogP1.71
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 863993
1-(2,4-Dimethylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
CID 2081257
1-(4-Methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2087343
1-(2,3-Dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2458297
N-pentan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 3961316
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 3984871
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6884109
1-Piperidin-1-yl-2-[(6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]ethanone
CID 7532116
N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 7888651
2-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]benzamide
CID 9262805
1-(3-Methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 16301529
N-(4-acetylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16314045

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide?
The IUPAC name of 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide (CID 2079707) is 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide?
The canonical SMILES for 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide is O=C(CSc1nnc2ccccn12)NC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide?
The InChIKey is KNRFKQSYEFTCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-14(10-12-6-2-1-3-7-12)17-15(22)11-23-16-19-18-13-8-4-5-9-20(13)16/h1-9H,10-11H2,(H,17,21,22).
What are the key properties of 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide?
2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide has a molecular weight of 326.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]acetamide is sourced from PubChem (CID 2079707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).