2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane

C10H12F2N4OS — CID 145295533

IUPAC2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane
SMILESCC.CSc1ncc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C8H6F2N4OS.C2H6/c1-16-8-11-2-4(3-12-8)6-13-14-7(15-6)5(9)10;1-2/h2-3,5H,1H3;1-2H3
InChIKeyGKUXQJCXKZWLEW-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.21
Rot. Bonds3

About 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane

2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane (PubChem CID 145295533) has the molecular formula C10H12F2N4OS and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane
PubChem CID145295533
Molecular FormulaC10H12F2N4OS
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC Name2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane
SMILESCC.CSc1ncc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C8H6F2N4OS.C2H6/c1-16-8-11-2-4(3-12-8)6-13-14-7(15-6)5(9)10;1-2/h2-3,5H,1H3;1-2H3
InChIKeyGKUXQJCXKZWLEW-UHFFFAOYSA-N
XLogP3.21
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane?
The IUPAC name of 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane (CID 145295533) is 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane.
What is the SMILES notation for 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane?
The canonical SMILES for 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane is CC.CSc1ncc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane?
The InChIKey is GKUXQJCXKZWLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4OS.C2H6/c1-16-8-11-2-4(3-12-8)6-13-14-7(15-6)5(9)10;1-2/h2-3,5H,1H3;1-2H3.
What are the key properties of 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane?
2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane has a molecular weight of 274.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole;ethane is sourced from PubChem (CID 145295533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).