5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole

C7H5F3N4OS2 — CID 99823918

IUPAC5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1nc(CSc2nnc(C(F)(F)F)s2)no1
InChIInChI=1S/C7H5F3N4OS2/c1-3-11-4(14-15-3)2-16-6-13-12-5(17-6)7(8,9)10/h2H2,1H3
InChIKeyOFGGZZIAHQQARJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.54
Rot. Bonds3

About 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole

5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 99823918) has the molecular formula C7H5F3N4OS2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID99823918
Molecular FormulaC7H5F3N4OS2
Molecular Weight282.27 g/mol
Exact Mass281.99
IUPAC Name5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1nc(CSc2nnc(C(F)(F)F)s2)no1
InChIInChI=1S/C7H5F3N4OS2/c1-3-11-4(14-15-3)2-16-6-13-12-5(17-6)7(8,9)10/h2H2,1H3
InChIKeyOFGGZZIAHQQARJ-UHFFFAOYSA-N
XLogP2.54
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole (CID 99823918) is 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole is Cc1nc(CSc2nnc(C(F)(F)F)s2)no1.
What is the InChIKey of 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is OFGGZZIAHQQARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4OS2/c1-3-11-4(14-15-3)2-16-6-13-12-5(17-6)7(8,9)10/h2H2,1H3.
What are the key properties of 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole?
5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 282.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99823918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).