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

C12H12N4OS — CID 114036146

IUPAC6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1cncc(N)n1
InChIInChI=1S/C12H12N4OS/c1-18-10-5-3-2-4-8(10)16-12(17)9-6-14-7-11(13)15-9/h2-7H,1H3,(H2,13,15)(H,16,17)
InChIKeyQGTIYZLMFZZLGB-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.03
Rot. Bonds3

About 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide

6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide (PubChem CID 114036146) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
PubChem CID114036146
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1cncc(N)n1
InChIInChI=1S/C12H12N4OS/c1-18-10-5-3-2-4-8(10)16-12(17)9-6-14-7-11(13)15-9/h2-7H,1H3,(H2,13,15)(H,16,17)
InChIKeyQGTIYZLMFZZLGB-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

6-amino-N-(2-iodophenyl)pyrazine-2-carboxamide
CID 114035710
5-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 113381839
5-amino-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 81317409
N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide
CID 57327084
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343
5-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107643013
N-(2-methylsulfanylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107643075
5-amino-2-methyl-N-(2-methylsulfanylphenyl)pyridine-3-carboxamide
CID 61117272
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
4-amino-2-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 61117159
3,6-dichloro-N-(2-methylsulfanylphenyl)pyridazine-4-carboxamide
CID 103606441

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide (CID 114036146) is 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide is CSc1ccccc1NC(=O)c1cncc(N)n1.
What is the InChIKey of 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide?
The InChIKey is QGTIYZLMFZZLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-18-10-5-3-2-4-8(10)16-12(17)9-6-14-7-11(13)15-9/h2-7H,1H3,(H2,13,15)(H,16,17).
What are the key properties of 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide?
6-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 6-amino-N-(2-methylsulfanylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 114036146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).