2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C13H8F2N4OS — CID 71451381

IUPAC2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3cnccn3)o2)c(F)c1
InChIInChI=1S/C13H8F2N4OS/c14-9-2-1-8(10(15)5-9)7-21-13-19-18-12(20-13)11-6-16-3-4-17-11/h1-6H,7H2
InChIKeySDJLLROKWNGEOA-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.10
Rot. Bonds4

About 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 71451381) has the molecular formula C13H8F2N4OS and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID71451381
Molecular FormulaC13H8F2N4OS
Molecular Weight306.30 g/mol
Exact Mass306.04
IUPAC Name2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFc1ccc(CSc2nnc(-c3cnccn3)o2)c(F)c1
InChIInChI=1S/C13H8F2N4OS/c14-9-2-1-8(10(15)5-9)7-21-13-19-18-12(20-13)11-6-16-3-4-17-11/h1-6H,7H2
InChIKeySDJLLROKWNGEOA-UHFFFAOYSA-N
XLogP3.10
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 71451381) is 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is Fc1ccc(CSc2nnc(-c3cnccn3)o2)c(F)c1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is SDJLLROKWNGEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4OS/c14-9-2-1-8(10(15)5-9)7-21-13-19-18-12(20-13)11-6-16-3-4-17-11/h1-6H,7H2.
What are the key properties of 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 306.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 71451381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).