N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide

C13H13N3OS — CID 27887675

IUPACN-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCSc1ccccc1)c1cnccn1
InChIInChI=1S/C13H13N3OS/c17-13(12-10-14-6-7-15-12)16-8-9-18-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,17)
InChIKeyXCTZFHCKWHQREO-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.00
Rot. Bonds5

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

N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide (PubChem CID 27887675) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
PubChem CID27887675
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-(2-phenylsulfanylethyl)pyrazine-2-carboxamide
SMILESO=C(NCCSc1ccccc1)c1cnccn1
InChIInChI=1S/C13H13N3OS/c17-13(12-10-14-6-7-15-12)16-8-9-18-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,17)
InChIKeyXCTZFHCKWHQREO-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyridin-4-ylsulfanylpropyl)pyrazine-2-carboxamide
CID 15231502
2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide
CID 2174445
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-[2-(naphthalene-2-carbonylamino)ethyl]pyrazine-2-carboxamide
CID 8990855
N-[3-[(2-phenoxyacetyl)amino]propyl]pyrazine-2-carboxamide
CID 8990873
N-[2-(2-bromophenyl)ethyl]pyrazine-2-carboxamide
CID 49003633
1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
CID 39943724
N-[2-(pyrazine-2-carbonylamino)ethyl]-1,3-benzothiazole-2-carboxamide
CID 30370261
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658
(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid
CID 67328816

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide (CID 27887675) is N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide is O=C(NCCSc1ccccc1)c1cnccn1.
What is the InChIKey of N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide?
The InChIKey is XCTZFHCKWHQREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-13(12-10-14-6-7-15-12)16-8-9-18-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,16,17).
What are the key properties of N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide?
N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 27887675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).