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

C9H10BrF3N2S — CID 102943291

IUPAC3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CCCC(c2nc(Br)ns2)C1
InChIInChI=1S/C9H10BrF3N2S/c10-8-14-7(16-15-8)5-2-1-3-6(4-5)9(11,12)13/h5-6H,1-4H2
InChIKeyZVMABCSFWKGNML-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.14
Rot. Bonds1

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

3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole (PubChem CID 102943291) has the molecular formula C9H10BrF3N2S and a molecular weight of 315.16 g/mol. Its IUPAC name is 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
PubChem CID102943291
Molecular FormulaC9H10BrF3N2S
Molecular Weight315.16 g/mol
Exact Mass313.97
IUPAC Name3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CCCC(c2nc(Br)ns2)C1
InChIInChI=1S/C9H10BrF3N2S/c10-8-14-7(16-15-8)5-2-1-3-6(4-5)9(11,12)13/h5-6H,1-4H2
InChIKeyZVMABCSFWKGNML-UHFFFAOYSA-N
XLogP4.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole (CID 102943291) is 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole is FC(F)(F)C1CCCC(c2nc(Br)ns2)C1.
What is the InChIKey of 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole?
The InChIKey is ZVMABCSFWKGNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2S/c10-8-14-7(16-15-8)5-2-1-3-6(4-5)9(11,12)13/h5-6H,1-4H2.
What are the key properties of 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole?
3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole has a molecular weight of 315.16 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[3-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole is sourced from PubChem (CID 102943291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).