5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide

C12H12N4OS — CID 113381839

IUPAC5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H12N4OS/c1-18-10-5-3-2-4-8(10)16-12(17)9-6-15-11(13)7-14-9/h2-7H,1H3,(H2,13,15)(H,16,17)
InChIKeyFFWYTHIMLBLJIR-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.03
Rot. Bonds3

About 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide

5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide (PubChem CID 113381839) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
PubChem CID113381839
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1cnc(N)cn1
InChIInChI=1S/C12H12N4OS/c1-18-10-5-3-2-4-8(10)16-12(17)9-6-15-11(13)7-14-9/h2-7H,1H3,(H2,13,15)(H,16,17)
InChIKeyFFWYTHIMLBLJIR-UHFFFAOYSA-N
XLogP2.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 81317409
5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 113381822
6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 114036146
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
5-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107643013
5-amino-N-[2-(2-methoxyethyl)phenyl]pyrazine-2-carboxamide
CID 107377211
5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
CID 61117272
N-(2-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666365
5-amino-N-[2-(difluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 81318925
5-amino-N-(2-bromo-4-fluorophenyl)pyrazine-2-carboxamide
CID 107374346
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide (CID 113381839) is 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide is CSc1ccccc1NC(=O)c1cnc(N)cn1.
What is the InChIKey of 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide?
The InChIKey is FFWYTHIMLBLJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-18-10-5-3-2-4-8(10)16-12(17)9-6-15-11(13)7-14-9/h2-7H,1H3,(H2,13,15)(H,16,17).
What are the key properties of 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide?
5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 113381839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).