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

C8H6F2N4OS — CID 129032998

IUPAC2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCSc1ncc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C8H6F2N4OS/c1-16-8-11-2-4(3-12-8)6-13-14-7(15-6)5(9)10/h2-3,5H,1H3
InChIKeyRRXALFQCABJKLI-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.19
Rot. Bonds3

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

2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 129032998) has the molecular formula C8H6F2N4OS and a molecular weight of 244.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID129032998
Molecular FormulaC8H6F2N4OS
Molecular Weight244.23 g/mol
Exact Mass244.02
IUPAC Name2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCSc1ncc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C8H6F2N4OS/c1-16-8-11-2-4(3-12-8)6-13-14-7(15-6)5(9)10/h2-3,5H,1H3
InChIKeyRRXALFQCABJKLI-UHFFFAOYSA-N
XLogP2.19
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.19
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?
The IUPAC name of 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 129032998) is 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole is CSc1ncc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is RRXALFQCABJKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4OS/c1-16-8-11-2-4(3-12-8)6-13-14-7(15-6)5(9)10/h2-3,5H,1H3.
What are the key properties of 2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(2-methylsulfanylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 244.23 g/mol, XLogP of 2.19, 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 is sourced from PubChem (CID 129032998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).