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

C9H6BrFN2OS — CID 114673209

IUPAC2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Oc2cc(Br)ccc2F)s1
InChIInChI=1S/C9H6BrFN2OS/c1-5-12-13-9(15-5)14-8-4-6(10)2-3-7(8)11/h2-4H,1H3
InChIKeyUYPJEWLQADYICB-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.54
Rot. Bonds2

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

2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole (PubChem CID 114673209) has the molecular formula C9H6BrFN2OS and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole
PubChem CID114673209
Molecular FormulaC9H6BrFN2OS
Molecular Weight289.13 g/mol
Exact Mass287.94
IUPAC Name2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Oc2cc(Br)ccc2F)s1
InChIInChI=1S/C9H6BrFN2OS/c1-5-12-13-9(15-5)14-8-4-6(10)2-3-7(8)11/h2-4H,1H3
InChIKeyUYPJEWLQADYICB-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole
CID 64623026
5-(5-bromo-2-fluorophenoxy)-3-ethyl-1,2,4-thiadiazole
CID 114673390
3-(5-bromo-2-fluorophenoxy)-4-chloro-1,2,5-thiadiazole
CID 114672242
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
CID 114673272
5-bromo-2-(5-bromo-2-fluorophenoxy)benzenecarbothioamide
CID 114892303
5-bromo-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]aniline
CID 79844147
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
4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole (CID 114673209) is 2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole is Cc1nnc(Oc2cc(Br)ccc2F)s1.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole?
The InChIKey is UYPJEWLQADYICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2OS/c1-5-12-13-9(15-5)14-8-4-6(10)2-3-7(8)11/h2-4H,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole?
2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole has a molecular weight of 289.13 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 114673209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).