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

C10H8BrFN2OS — CID 114673390

IUPAC5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C10H8BrFN2OS/c1-2-9-13-10(16-14-9)15-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3
InChIKeyBTEBMUNFRLCFQD-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.79
Rot. Bonds3

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

5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole (PubChem CID 114673390) has the molecular formula C10H8BrFN2OS and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
PubChem CID114673390
Molecular FormulaC10H8BrFN2OS
Molecular Weight303.16 g/mol
Exact Mass301.95
IUPAC Name5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Oc2cc(Br)ccc2F)n1
InChIInChI=1S/C10H8BrFN2OS/c1-2-9-13-10(16-14-9)15-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3
InChIKeyBTEBMUNFRLCFQD-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole
CID 114673209
4-(5-bromo-2-fluorophenoxy)-6-ethyl-2-methylpyrimidine
CID 114673114
2,5-difluoro-4-[(3-propyl-1,2,4-thiadiazol-5-yl)oxy]aniline
CID 65274480
3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
CID 114672242
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]-3-methoxyaniline
CID 65274012
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
5-(5-bromo-2-methylphenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304603
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
CID 114677310
4-(5-bromo-2-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 114671732
2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
CID 113353826
[2-(5-bromo-2-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 114671610

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole (CID 114673390) is 5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Oc2cc(Br)ccc2F)n1.
What is the InChIKey of 5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is BTEBMUNFRLCFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2OS/c1-2-9-13-10(16-14-9)15-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3.
What are the key properties of 5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole?
5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 303.16 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 114673390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).