2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

C13H13N3O2S — CID 20941785

IUPAC2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(N)=O)c2=O)cc1
InChIInChI=1S/C13H13N3O2S/c1-9-2-4-10(5-3-9)16-7-6-15-12(13(16)18)19-8-11(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyKHKPKNXRXQRLGT-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.12
Rot. Bonds4

About 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 20941785) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID20941785
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(N)=O)c2=O)cc1
InChIInChI=1S/C13H13N3O2S/c1-9-2-4-10(5-3-9)16-7-6-15-12(13(16)18)19-8-11(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyKHKPKNXRXQRLGT-UHFFFAOYSA-N
XLogP1.12
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 20941785) is 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is Cc1ccc(-n2ccnc(SCC(N)=O)c2=O)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is KHKPKNXRXQRLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9-2-4-10(5-3-9)16-7-6-15-12(13(16)18)19-8-11(14)17/h2-7H,8H2,1H3,(H2,14,17).
What are the key properties of 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 275.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 20941785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).