1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one

C14H14N2O2S — CID 63381105

IUPAC1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2cnccn2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10(19-13-9-15-7-8-16-13)14(17)11-3-5-12(18-2)6-4-11/h3-10H,1-2H3
InChIKeyBVAHLYMTRHNGFW-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.85
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one

1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one (PubChem CID 63381105) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one
PubChem CID63381105
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2cnccn2)cc1
InChIInChI=1S/C14H14N2O2S/c1-10(19-13-9-15-7-8-16-13)14(17)11-3-5-12(18-2)6-4-11/h3-10H,1-2H3
InChIKeyBVAHLYMTRHNGFW-UHFFFAOYSA-N
XLogP2.85
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one (CID 63381105) is 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one is COc1ccc(C(=O)C(C)Sc2cnccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one?
The InChIKey is BVAHLYMTRHNGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10(19-13-9-15-7-8-16-13)14(17)11-3-5-12(18-2)6-4-11/h3-10H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one?
1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one has a molecular weight of 274.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 63381105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).