N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide

C13H14N4OS — CID 63381090

IUPACN-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cnccn2)cc1N
InChIInChI=1S/C13H14N4OS/c1-9-2-3-10(6-11(9)14)17-12(18)8-19-13-7-15-4-5-16-13/h2-7H,8,14H2,1H3,(H,17,18)
InChIKeyQMQDQGIKQOMESL-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.10
Rot. Bonds4

About N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide

N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide (PubChem CID 63381090) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide
PubChem CID63381090
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cnccn2)cc1N
InChIInChI=1S/C13H14N4OS/c1-9-2-3-10(6-11(9)14)17-12(18)8-19-13-7-15-4-5-16-13/h2-7H,8,14H2,1H3,(H,17,18)
InChIKeyQMQDQGIKQOMESL-UHFFFAOYSA-N
XLogP2.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 62305813
N-(3-amino-4-fluorophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63380792
N-(3-amino-4-methylphenyl)-2-(4-bromophenyl)sulfanylacetamide
CID 43377361
N-(3-amino-4-methylphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 43376968
2-[2-(3-amino-4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 114231285
N-(4-amino-2,6-dichlorophenyl)-2-pyrazin-2-ylsulfanylacetamide
CID 63380982
N-(3-amino-4-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 106922312
N-(3-amino-4-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872125
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
N-(4-aminophenyl)-4-pyrazin-2-ylsulfanylbutanamide
CID 63381175
N-(3-amino-4-methylphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 107770544
N-(3-amino-4-methylphenyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 43377161

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide (CID 63381090) is N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide is Cc1ccc(NC(=O)CSc2cnccn2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide?
The InChIKey is QMQDQGIKQOMESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-9-2-3-10(6-11(9)14)17-12(18)8-19-13-7-15-4-5-16-13/h2-7H,8,14H2,1H3,(H,17,18).
What are the key properties of N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide?
N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide has a molecular weight of 274.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-pyrazin-2-ylsulfanylacetamide is sourced from PubChem (CID 63381090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).