N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H12ClN5O2S — CID 2814641

IUPACN-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(=O)n1-c1cccnc1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN5O2S/c16-11-5-1-2-6-12(11)18-13(22)9-24-15-20-19-14(23)21(15)10-4-3-7-17-8-10/h1-8H,9H2,(H,18,22)(H,19,23)
InChIKeyXXAOKSSJINFULM-UHFFFAOYSA-N
MW361.81 g/mol
LogP2.34
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 2814641) has the molecular formula C15H12ClN5O2S and a molecular weight of 361.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID2814641
Molecular FormulaC15H12ClN5O2S
Molecular Weight361.81 g/mol
Exact Mass361.04
IUPAC NameN-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESO=C(CSc1n[nH]c(=O)n1-c1cccnc1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN5O2S/c16-11-5-1-2-6-12(11)18-13(22)9-24-15-20-19-14(23)21(15)10-4-3-7-17-8-10/h1-8H,9H2,(H,18,22)(H,19,23)
InChIKeyXXAOKSSJINFULM-UHFFFAOYSA-N
XLogP2.34
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 2814641) is N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is O=C(CSc1n[nH]c(=O)n1-c1cccnc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is XXAOKSSJINFULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2S/c16-11-5-1-2-6-12(11)18-13(22)9-24-15-20-19-14(23)21(15)10-4-3-7-17-8-10/h1-8H,9H2,(H,18,22)(H,19,23).
What are the key properties of N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 361.81 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(5-oxo-4-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 2814641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).