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

C3BrF3N2S — CID 83895363

IUPAC5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(Br)n1
InChIInChI=1S/C3BrF3N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKeyWCPREXLNGTWSDM-UHFFFAOYSA-N
MW233.01 g/mol
LogP2.32
Rot. Bonds

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

5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole (PubChem CID 83895363) has the molecular formula C3BrF3N2S and a molecular weight of 233.01 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole
PubChem CID83895363
Molecular FormulaC3BrF3N2S
Molecular Weight233.01 g/mol
Exact Mass231.89
IUPAC Name5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole
SMILESFC(F)(F)c1nsc(Br)n1
InChIInChI=1S/C3BrF3N2S/c4-2-8-1(9-10-2)3(5,6)7
InChIKeyWCPREXLNGTWSDM-UHFFFAOYSA-N
XLogP2.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.01
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole (CID 83895363) is 5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole is FC(F)(F)c1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole?
The InChIKey is WCPREXLNGTWSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3BrF3N2S/c4-2-8-1(9-10-2)3(5,6)7.
What are the key properties of 5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole?
5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole has a molecular weight of 233.01 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(trifluoromethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 83895363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).