3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one

C18H15FN2O2S — CID 18579495

IUPAC3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccccc1-n1ccnc(SCc2cccc(F)c2)c1=O
InChIInChI=1S/C18H15FN2O2S/c1-23-16-8-3-2-7-15(16)21-10-9-20-17(18(21)22)24-12-13-5-4-6-14(19)11-13/h2-11H,12H2,1H3
InChIKeyXUFRZFQQDXANEA-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.67
Rot. Bonds5

About 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one

3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one (PubChem CID 18579495) has the molecular formula C18H15FN2O2S and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one
PubChem CID18579495
Molecular FormulaC18H15FN2O2S
Molecular Weight342.40 g/mol
Exact Mass342.08
IUPAC Name3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccccc1-n1ccnc(SCc2cccc(F)c2)c1=O
InChIInChI=1S/C18H15FN2O2S/c1-23-16-8-3-2-7-15(16)21-10-9-20-17(18(21)22)24-12-13-5-4-6-14(19)11-13/h2-11H,12H2,1H3
InChIKeyXUFRZFQQDXANEA-UHFFFAOYSA-N
XLogP3.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one (CID 18579495) is 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one is COc1ccccc1-n1ccnc(SCc2cccc(F)c2)c1=O.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one?
The InChIKey is XUFRZFQQDXANEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S/c1-23-16-8-3-2-7-15(16)21-10-9-20-17(18(21)22)24-12-13-5-4-6-14(19)11-13/h2-11H,12H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one?
3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one has a molecular weight of 342.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfanyl]-1-(2-methoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 18579495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).