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

C8H3BrClFN2OS — CID 114672242

IUPAC3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
SMILESFc1ccc(Br)cc1Oc1nsnc1Cl
InChIInChI=1S/C8H3BrClFN2OS/c9-4-1-2-5(11)6(3-4)14-8-7(10)12-15-13-8/h1-3H
InChIKeyXSLFTNAALBZUKH-UHFFFAOYSA-N
MW309.55 g/mol
LogP3.89
Rot. Bonds2

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

3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole (PubChem CID 114672242) has the molecular formula C8H3BrClFN2OS and a molecular weight of 309.55 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
PubChem CID114672242
Molecular FormulaC8H3BrClFN2OS
Molecular Weight309.55 g/mol
Exact Mass307.88
IUPAC Name3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
SMILESFc1ccc(Br)cc1Oc1nsnc1Cl
InChIInChI=1S/C8H3BrClFN2OS/c9-4-1-2-5(11)6(3-4)14-8-7(10)12-15-13-8/h1-3H
InChIKeyXSLFTNAALBZUKH-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
CID 61038458
3-chloro-4-(2,5-dichlorophenoxy)-1,2,5-thiadiazole
CID 60726221
3-(6-bromonaphthalen-2-yl)oxy-4-chloro-1,2,5-thiadiazole
CID 63506612
3-(4-bromo-2-nitrophenoxy)-4-chloro-1,2,5-thiadiazole
CID 65429782
3-chloro-4-(4-chlorophenoxy)-1,2,5-thiadiazole
CID 15050036
3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole
CID 54915723
3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
CID 114673272
3-chloro-4-(2-chloro-5-methylphenoxy)-1,2,5-thiadiazole
CID 60726066
5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
CID 114673390
2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole
CID 114673209
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole?
The IUPAC name of 3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole (CID 114672242) is 3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole.
What is the SMILES notation for 3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole?
The canonical SMILES for 3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole is Fc1ccc(Br)cc1Oc1nsnc1Cl.
What is the InChIKey of 3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole?
The InChIKey is XSLFTNAALBZUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFN2OS/c9-4-1-2-5(11)6(3-4)14-8-7(10)12-15-13-8/h1-3H.
What are the key properties of 3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole?
3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole has a molecular weight of 309.55 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole is sourced from PubChem (CID 114672242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).