2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide

C12H11ClN4OS — CID 106679046

IUPAC2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
SMILESNc1nccnc1SCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4OS/c13-8-1-3-9(4-2-8)17-10(18)7-19-12-11(14)15-5-6-16-12/h1-6H,7H2,(H2,14,15)(H,17,18)
InChIKeyHVWNOOPHYIGLMU-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.44
Rot. Bonds4

About 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide

2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide (PubChem CID 106679046) has the molecular formula C12H11ClN4OS and a molecular weight of 294.77 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
PubChem CID106679046
Molecular FormulaC12H11ClN4OS
Molecular Weight294.77 g/mol
Exact Mass294.03
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide
SMILESNc1nccnc1SCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN4OS/c13-8-1-3-9(4-2-8)17-10(18)7-19-12-11(14)15-5-6-16-12/h1-6H,7H2,(H2,14,15)(H,17,18)
InChIKeyHVWNOOPHYIGLMU-UHFFFAOYSA-N
XLogP2.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-propylphenyl)acetamide
CID 106679325
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 106679095
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 106678563
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
2-[(3-amino-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 43300867
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 47158205
N-(4-chlorophenyl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 33227919
2-(3-aminopyrazin-2-yl)sulfanylacetic acid
CID 106677989
N-(4-chlorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712238
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 106679065
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351214
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 51319532

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide (CID 106679046) is 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide is Nc1nccnc1SCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
The InChIKey is HVWNOOPHYIGLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4OS/c13-8-1-3-9(4-2-8)17-10(18)7-19-12-11(14)15-5-6-16-12/h1-6H,7H2,(H2,14,15)(H,17,18).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide?
2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide has a molecular weight of 294.77 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanyl-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 106679046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).