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

C16H15N5O2S — CID 7888651

IUPACN-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnc3ccccn23)c1
InChIInChI=1S/C16H15N5O2S/c1-11(22)17-12-5-4-6-13(9-12)18-15(23)10-24-16-20-19-14-7-2-3-8-21(14)16/h2-9H,10H2,1H3,(H,17,22)(H,18,23)
InChIKeyDJVKPWMNPQPNBQ-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.42
Rot. Bonds5

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

N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 7888651) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID7888651
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CSc2nnc3ccccn23)c1
InChIInChI=1S/C16H15N5O2S/c1-11(22)17-12-5-4-6-13(9-12)18-15(23)10-24-16-20-19-14-7-2-3-8-21(14)16/h2-9H,10H2,1H3,(H,17,22)(H,18,23)
InChIKeyDJVKPWMNPQPNBQ-UHFFFAOYSA-N
XLogP2.42
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-{[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6461823
N-(2,4-difluorophenyl)-2-{[4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1265808
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 1994361
2-(4-Methylamino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-hexanoic acid amide
CID 10248600
2-(4-Amino-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylsulfanyl)-hexanoic acid amide
CID 10450937
N-tert-butyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 859496
N-(3-methylphenyl)-2-[(4-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 863993
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-(4-morpholin-4-ylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2472329
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

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 7888651) is N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is CC(=O)Nc1cccc(NC(=O)CSc2nnc3ccccn23)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is DJVKPWMNPQPNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-11(22)17-12-5-4-6-13(9-12)18-15(23)10-24-16-20-19-14-7-2-3-8-21(14)16/h2-9H,10H2,1H3,(H,17,22)(H,18,23).
What are the key properties of N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 341.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 7888651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).