3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole

C8H3BrF2N2S — CID 102943421

IUPAC3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole
SMILESFc1cccc(F)c1-c1nc(Br)ns1
InChIInChI=1S/C8H3BrF2N2S/c9-8-12-7(14-13-8)6-4(10)2-1-3-5(6)11/h1-3H
InChIKeyGUMSTJQNWYDXDX-UHFFFAOYSA-N
MW277.09 g/mol
LogP3.25
Rot. Bonds1

About 3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole

3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole (PubChem CID 102943421) has the molecular formula C8H3BrF2N2S and a molecular weight of 277.09 g/mol. Its IUPAC name is 3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole
PubChem CID102943421
Molecular FormulaC8H3BrF2N2S
Molecular Weight277.09 g/mol
Exact Mass275.92
IUPAC Name3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole
SMILESFc1cccc(F)c1-c1nc(Br)ns1
InChIInChI=1S/C8H3BrF2N2S/c9-8-12-7(14-13-8)6-4(10)2-1-3-5(6)11/h1-3H
InChIKeyGUMSTJQNWYDXDX-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-(2,6-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-(2,6-dichlorophenyl)-1,2,4-thiadiazole
CID 102943171
3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
CID 102943492
3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole
CID 102943436
3-bromo-5-(5,6-dimethyl-2-pyridinyl)-1,2,4-thiadiazole
CID 130689955
3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
CID 102943456
3-bromo-5-quinolin-2-yl-1,2,4-thiadiazole
CID 102943376
3-bromo-5-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
CID 155681917
3-bromo-5-(2-tert-butylphenyl)-1,2,4-thiadiazole
CID 102943332
4-(2-bromoethyl)-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83971235
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
4-chloro-2-(2,6-difluorophenyl)-1,3-thiazole
CID 83158211
3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943208

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole (CID 102943421) is 3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole is Fc1cccc(F)c1-c1nc(Br)ns1.
What is the InChIKey of 3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole?
The InChIKey is GUMSTJQNWYDXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2S/c9-8-12-7(14-13-8)6-4(10)2-1-3-5(6)11/h1-3H.
What are the key properties of 3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole?
3-bromo-5-(2,6-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-(2,6-difluorophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).