3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole

C8H3BrClFN2S — CID 107282995

IUPAC3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(Cl)n2)c(Br)c1
InChIInChI=1S/C8H3BrClFN2S/c9-6-3-4(11)1-2-5(6)7-12-8(10)14-13-7/h1-3H
InChIKeyCDSLFCADESRSHR-UHFFFAOYSA-N
MW293.55 g/mol
LogP3.76
Rot. Bonds1

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

3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole (PubChem CID 107282995) has the molecular formula C8H3BrClFN2S and a molecular weight of 293.55 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
PubChem CID107282995
Molecular FormulaC8H3BrClFN2S
Molecular Weight293.55 g/mol
Exact Mass291.89
IUPAC Name3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole
SMILESFc1ccc(-c2nsc(Cl)n2)c(Br)c1
InChIInChI=1S/C8H3BrClFN2S/c9-6-3-4(11)1-2-5(6)7-12-8(10)14-13-7/h1-3H
InChIKeyCDSLFCADESRSHR-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4-fluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 107282997
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 107280106
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 107280112
2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine
CID 107282777
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
5-chloro-3-(4-chloro-2-fluorophenyl)-1,2,4-thiadiazole;5-chloro-3-pyridin-4-yl-1,2,4-thiadiazole
CID 158146883
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107795657
4-(2-bromo-4-fluorophenyl)-5-chloro-2H-triazole
CID 163752627
3-(2-bromo-5-fluorophenyl)-N-ethyl-1,2,4-thiadiazol-5-amine
CID 107924739
[2-(2-bromo-4-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 107281505
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 107283100

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole (CID 107282995) is 3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole is Fc1ccc(-c2nsc(Cl)n2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole?
The InChIKey is CDSLFCADESRSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFN2S/c9-6-3-4(11)1-2-5(6)7-12-8(10)14-13-7/h1-3H.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole?
3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole has a molecular weight of 293.55 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-5-chloro-1,2,4-thiadiazole is sourced from PubChem (CID 107282995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).