(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H13N5OS — CID 95629343

IUPAC(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)[C@H](Sc1n[nH]c(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C15H13N5OS/c16-13(21)12(10-6-2-1-3-7-10)22-15-18-14(19-20-15)11-8-4-5-9-17-11/h1-9,12H,(H2,16,21)(H,18,19,20)/t12-/m1/s1
InChIKeyVGTMOVDUUKOPQC-GFCCVEGCSA-N
MW311.37 g/mol
LogP2.19
Rot. Bonds5

About (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 95629343) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID95629343
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)[C@H](Sc1n[nH]c(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C15H13N5OS/c16-13(21)12(10-6-2-1-3-7-10)22-15-18-14(19-20-15)11-8-4-5-9-17-11/h1-9,12H,(H2,16,21)(H,18,19,20)/t12-/m1/s1
InChIKeyVGTMOVDUUKOPQC-GFCCVEGCSA-N
XLogP2.19
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
2-phenyl-2-[[5-[(E)-2-thiophen-2-ylethenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17461931
N,N-dimethyl-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 17475506
1-phenothiazin-10-yl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 3161714
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 7698044
N-(4-methylphenyl)-2-phenyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18283216
(2S)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 7716064
(2R)-N-carbamoyl-2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 9108985
2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 124506830
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
5-bromo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 56791938

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 95629343) is (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is NC(=O)[C@H](Sc1n[nH]c(-c2ccccn2)n1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is VGTMOVDUUKOPQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H13N5OS/c16-13(21)12(10-6-2-1-3-7-10)22-15-18-14(19-20-15)11-8-4-5-9-17-11/h1-9,12H,(H2,16,21)(H,18,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
(2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 311.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 95629343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).