2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C14H8ClF3N4OS — CID 171378918

IUPAC2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(Cl)c1CSc1nnc(-c2cnccn2)o1
InChIInChI=1S/C14H8ClF3N4OS/c15-10-3-1-2-9(14(16,17)18)8(10)7-24-13-22-21-12(23-13)11-6-19-4-5-20-11/h1-6H,7H2
InChIKeyCFUNYUCUSGNBPX-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.49
Rot. Bonds4

About 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 171378918) has the molecular formula C14H8ClF3N4OS and a molecular weight of 372.76 g/mol. Its IUPAC name is 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID171378918
Molecular FormulaC14H8ClF3N4OS
Molecular Weight372.76 g/mol
Exact Mass372.01
IUPAC Name2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(Cl)c1CSc1nnc(-c2cnccn2)o1
InChIInChI=1S/C14H8ClF3N4OS/c15-10-3-1-2-9(14(16,17)18)8(10)7-24-13-22-21-12(23-13)11-6-19-4-5-20-11/h1-6H,7H2
InChIKeyCFUNYUCUSGNBPX-UHFFFAOYSA-N
XLogP4.49
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 171378918) is 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is FC(F)(F)c1cccc(Cl)c1CSc1nnc(-c2cnccn2)o1.
What is the InChIKey of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is CFUNYUCUSGNBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4OS/c15-10-3-1-2-9(14(16,17)18)8(10)7-24-13-22-21-12(23-13)11-6-19-4-5-20-11/h1-6H,7H2.
What are the key properties of 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 372.76 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-6-(trifluoromethyl)phenyl]methylsulfanyl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 171378918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).