N-(2-sulfanylphenyl)pyrazine-2-carboxamide

C11H9N3OS — CID 136757506

IUPACN-(2-sulfanylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1S)c1cnccn1
InChIInChI=1S/C11H9N3OS/c15-11(9-7-12-5-6-13-9)14-8-3-1-2-4-10(8)16/h1-7,16H,(H,14,15)
InChIKeyWPRLEGMLYXVLDM-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.02
Rot. Bonds2

About N-(2-sulfanylphenyl)pyrazine-2-carboxamide

N-(2-sulfanylphenyl)pyrazine-2-carboxamide (PubChem CID 136757506) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(2-sulfanylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-sulfanylphenyl)pyrazine-2-carboxamide
PubChem CID136757506
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC NameN-(2-sulfanylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1S)c1cnccn1
InChIInChI=1S/C11H9N3OS/c15-11(9-7-12-5-6-13-9)14-8-3-1-2-4-10(8)16/h1-7,16H,(H,14,15)
InChIKeyWPRLEGMLYXVLDM-UHFFFAOYSA-N
XLogP2.02
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrazine-2-carboxamide
CID 71804997
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268
N-[2-(2,3-dihydroindol-1-yl)phenyl]pyrazine-2-carboxamide
CID 38748578
N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 18155897
N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
CID 175533892
N-(4-pyridin-2-ylphenyl)pyrazine-2-carboxamide
CID 110461757
N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)pyrazine-2-carboxamide
CID 15372135
methyl 2-amino-3-(pyrazine-2-carbonylamino)benzoate
CID 58552889

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-sulfanylphenyl)pyrazine-2-carboxamide (CID 136757506) is N-(2-sulfanylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-sulfanylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-sulfanylphenyl)pyrazine-2-carboxamide is O=C(Nc1ccccc1S)c1cnccn1.
What is the InChIKey of N-(2-sulfanylphenyl)pyrazine-2-carboxamide?
The InChIKey is WPRLEGMLYXVLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-11(9-7-12-5-6-13-9)14-8-3-1-2-4-10(8)16/h1-7,16H,(H,14,15).
What are the key properties of N-(2-sulfanylphenyl)pyrazine-2-carboxamide?
N-(2-sulfanylphenyl)pyrazine-2-carboxamide has a molecular weight of 231.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 136757506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).