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

C8H4BrFN2OS — CID 83234277

IUPAC5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole
SMILESFc1ccc(Oc2ncns2)cc1Br
InChIInChI=1S/C8H4BrFN2OS/c9-6-3-5(1-2-7(6)10)13-8-11-4-12-14-8/h1-4H
InChIKeyZNCBUVVRZMVZAG-UHFFFAOYSA-N
MW275.10 g/mol
LogP3.23
Rot. Bonds2

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

5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole (PubChem CID 83234277) has the molecular formula C8H4BrFN2OS and a molecular weight of 275.10 g/mol. Its IUPAC name is 5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole
PubChem CID83234277
Molecular FormulaC8H4BrFN2OS
Molecular Weight275.10 g/mol
Exact Mass273.92
IUPAC Name5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole
SMILESFc1ccc(Oc2ncns2)cc1Br
InChIInChI=1S/C8H4BrFN2OS/c9-6-3-5(1-2-7(6)10)13-8-11-4-12-14-8/h1-4H
InChIKeyZNCBUVVRZMVZAG-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-bromo-4-fluorophenoxy)-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

2-fluoro-4-(1,2,4-thiadiazol-5-yloxy)aniline
CID 65273788
5-(3-bromo-4-fluorophenoxy)-3-tert-butyl-1,2,4-thiadiazole
CID 83231630
4-(3-bromo-4-fluorophenoxy)-6-fluoropyrimidine
CID 83231218
5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
CID 83235339
4-(3-bromo-4-fluorophenoxy)-2-chloro-5-methylpyridine
CID 83269248
2-bromo-1-fluoro-4-phenoxybenzene
CID 71774083
2-(3-bromo-4-fluorophenoxy)-5-iodopyrimidine
CID 104844305
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863
2-(3-bromo-4-fluorophenoxy)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133435045
4-(3-bromo-4-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 83232697
6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 83236952
2-(3-bromo-4-fluorophenoxy)-3-chloropyridine
CID 83234949

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole?
The IUPAC name of 5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole (CID 83234277) is 5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole is Fc1ccc(Oc2ncns2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole?
The InChIKey is ZNCBUVVRZMVZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2OS/c9-6-3-5(1-2-7(6)10)13-8-11-4-12-14-8/h1-4H.
What are the key properties of 5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole?
5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole has a molecular weight of 275.10 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-fluorophenoxy)-1,2,4-thiadiazole is sourced from PubChem (CID 83234277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).