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

C8H3Br2FN2OS — CID 64623026

IUPAC2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole
SMILESFc1cc(Br)ccc1Oc1nnc(Br)s1
InChIInChI=1S/C8H3Br2FN2OS/c9-4-1-2-6(5(11)3-4)14-8-13-12-7(10)15-8/h1-3H
InChIKeyCRUIALGGHZYVBU-UHFFFAOYSA-N
MW354.00 g/mol
LogP3.99
Rot. Bonds2

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

2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole (PubChem CID 64623026) has the molecular formula C8H3Br2FN2OS and a molecular weight of 354.00 g/mol. Its IUPAC name is 2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole
PubChem CID64623026
Molecular FormulaC8H3Br2FN2OS
Molecular Weight354.00 g/mol
Exact Mass351.83
IUPAC Name2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole
SMILESFc1cc(Br)ccc1Oc1nnc(Br)s1
InChIInChI=1S/C8H3Br2FN2OS/c9-4-1-2-6(5(11)3-4)14-8-13-12-7(10)15-8/h1-3H
InChIKeyCRUIALGGHZYVBU-UHFFFAOYSA-N
XLogP3.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.00
LogP ≤ 53.99
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
2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole
CID 64623863
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
CID 59525067
3-fluoro-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
CID 114449793
2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole
CID 64624275
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
6-(4-bromo-2-fluorophenoxy)pyrimidine-2,4-diamine
CID 80881775
2-(4-bromo-2-fluorophenoxy)-5-chloro-3-fluoropyridine
CID 79727302
3-(4-bromo-2-fluorophenoxy)-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
CID 136924911
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole (CID 64623026) is 2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole is Fc1cc(Br)ccc1Oc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole?
The InChIKey is CRUIALGGHZYVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2FN2OS/c9-4-1-2-6(5(11)3-4)14-8-13-12-7(10)15-8/h1-3H.
What are the key properties of 2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole?
2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole has a molecular weight of 354.00 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64623026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).