N-(4-sulfanylphenyl)pyrazine-2-carboxamide

C11H9N3OS — CID 137223268

IUPACN-(4-sulfanylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(S)cc1)c1cnccn1
InChIInChI=1S/C11H9N3OS/c15-11(10-7-12-5-6-13-10)14-8-1-3-9(16)4-2-8/h1-7,16H,(H,14,15)
InChIKeyZAKWFFCALXMDAO-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.02
Rot. Bonds2

About N-(4-sulfanylphenyl)pyrazine-2-carboxamide

N-(4-sulfanylphenyl)pyrazine-2-carboxamide (PubChem CID 137223268) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(4-sulfanylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-sulfanylphenyl)pyrazine-2-carboxamide
PubChem CID137223268
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC NameN-(4-sulfanylphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(S)cc1)c1cnccn1
InChIInChI=1S/C11H9N3OS/c15-11(10-7-12-5-6-13-10)14-8-1-3-9(16)4-2-8/h1-7,16H,(H,14,15)
InChIKeyZAKWFFCALXMDAO-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-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(3,4-dibromophenyl)pyrazine-2-carboxamide
CID 1221988
N-(4-pyridin-2-ylphenyl)pyrazine-2-carboxamide
CID 110461757
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
N-[4-(sulfamoylmethyl)phenyl]pyrazine-2-carboxamide
CID 60715551
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 75521085
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
N-imidazo[1,2-a]pyridin-6-ylpyrazine-2-carboxamide
CID 110745675
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
N-(4-cyclopentylsulfonylphenyl)pyrazine-2-carboxamide
CID 39179415

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfanylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-sulfanylphenyl)pyrazine-2-carboxamide (CID 137223268) is N-(4-sulfanylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-sulfanylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-sulfanylphenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(S)cc1)c1cnccn1.
What is the InChIKey of N-(4-sulfanylphenyl)pyrazine-2-carboxamide?
The InChIKey is ZAKWFFCALXMDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-11(10-7-12-5-6-13-10)14-8-1-3-9(16)4-2-8/h1-7,16H,(H,14,15).
What are the key properties of N-(4-sulfanylphenyl)pyrazine-2-carboxamide?
N-(4-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-(4-sulfanylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 137223268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).