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

C8H3BrF2N2S — CID 102943456

IUPAC3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
SMILESFc1cc(F)cc(-c2nc(Br)ns2)c1
InChIInChI=1S/C8H3BrF2N2S/c9-8-12-7(14-13-8)4-1-5(10)3-6(11)2-4/h1-3H
InChIKeyPVZGLNPHOZWGDJ-UHFFFAOYSA-N
MW277.09 g/mol
LogP3.25
Rot. Bonds1

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

3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole (PubChem CID 102943456) has the molecular formula C8H3BrF2N2S and a molecular weight of 277.09 g/mol. Its IUPAC name is 3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
PubChem CID102943456
Molecular FormulaC8H3BrF2N2S
Molecular Weight277.09 g/mol
Exact Mass275.92
IUPAC Name3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
SMILESFc1cc(F)cc(-c2nc(Br)ns2)c1
InChIInChI=1S/C8H3BrF2N2S/c9-8-12-7(14-13-8)4-1-5(10)3-6(11)2-4/h1-3H
InChIKeyPVZGLNPHOZWGDJ-UHFFFAOYSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-(3,5-difluorophenyl)-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

Related Compounds

3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
CID 102943492
3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943208
3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole
CID 102943436
4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline
CID 102943222
3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole
CID 102943421
3-bromo-5-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
CID 155681917
5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole
CID 102618259
3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618587
2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 58992623
3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole
CID 102943984
3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole
CID 102943171
3-bromo-5-(5,6-dimethyl-2-pyridinyl)-1,2,4-thiadiazole
CID 130689955

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole (CID 102943456) is 3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole is Fc1cc(F)cc(-c2nc(Br)ns2)c1.
What is the InChIKey of 3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole?
The InChIKey is PVZGLNPHOZWGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2S/c9-8-12-7(14-13-8)4-1-5(10)3-6(11)2-4/h1-3H.
What are the key properties of 3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole?
3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole has a molecular weight of 277.09 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).