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

C9H6BrFN2OS — CID 65267850

IUPAC5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C9H6BrFN2OS/c1-5-12-9(15-13-5)14-8-3-2-6(11)4-7(8)10/h2-4H,1H3
InChIKeyOTHLASJYKRYPCX-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.54
Rot. Bonds2

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

5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole (PubChem CID 65267850) has the molecular formula C9H6BrFN2OS and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole
PubChem CID65267850
Molecular FormulaC9H6BrFN2OS
Molecular Weight289.13 g/mol
Exact Mass287.94
IUPAC Name5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C9H6BrFN2OS/c1-5-12-9(15-13-5)14-8-3-2-6(11)4-7(8)10/h2-4H,1H3
InChIKeyOTHLASJYKRYPCX-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole (CID 65267850) is 5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole is Cc1nsc(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of 5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole?
The InChIKey is OTHLASJYKRYPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2OS/c1-5-12-9(15-13-5)14-8-3-2-6(11)4-7(8)10/h2-4H,1H3.
What are the key properties of 5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole?
5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-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 5-(2-bromo-4-fluorophenoxy)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 65267850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).