5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole

C5H5F3N2O2S2 — CID 163871675

IUPAC5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCS(=O)(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2O2S2/c1-2-14(11,12)4-9-3(10-13-4)5(6,7)8/h2H2,1H3
InChIKeyPLIWVXGSICMQOT-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.35
Rot. Bonds2

About 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole

5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 163871675) has the molecular formula C5H5F3N2O2S2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID163871675
Molecular FormulaC5H5F3N2O2S2
Molecular Weight246.23 g/mol
Exact Mass245.97
IUPAC Name5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESCCS(=O)(=O)c1nc(C(F)(F)F)ns1
InChIInChI=1S/C5H5F3N2O2S2/c1-2-14(11,12)4-9-3(10-13-4)5(6,7)8/h2H2,1H3
InChIKeyPLIWVXGSICMQOT-UHFFFAOYSA-N
XLogP1.35
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 163871675) is 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole is CCS(=O)(=O)c1nc(C(F)(F)F)ns1.
What is the InChIKey of 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is PLIWVXGSICMQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2S2/c1-2-14(11,12)4-9-3(10-13-4)5(6,7)8/h2H2,1H3.
What are the key properties of 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 246.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 163871675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).