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

C8H3BrClFN2S — CID 63383605

IUPAC2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cc(Cl)ccc1-c1nnc(Br)s1
InChIInChI=1S/C8H3BrClFN2S/c9-8-13-12-7(14-8)5-2-1-4(10)3-6(5)11/h1-3H
InChIKeyIVQXQWXYLOHIEC-UHFFFAOYSA-N
MW293.55 g/mol
LogP3.76
Rot. Bonds1

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

2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole (PubChem CID 63383605) has the molecular formula C8H3BrClFN2S and a molecular weight of 293.55 g/mol. Its IUPAC name is 2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
PubChem CID63383605
Molecular FormulaC8H3BrClFN2S
Molecular Weight293.55 g/mol
Exact Mass291.89
IUPAC Name2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
SMILESFc1cc(Cl)ccc1-c1nnc(Br)s1
InChIInChI=1S/C8H3BrClFN2S/c9-8-13-12-7(14-8)5-2-1-4(10)3-6(5)11/h1-3H
InChIKeyIVQXQWXYLOHIEC-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.55
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole (CID 63383605) is 2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole is Fc1cc(Cl)ccc1-c1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole?
The InChIKey is IVQXQWXYLOHIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFN2S/c9-8-13-12-7(14-8)5-2-1-4(10)3-6(5)11/h1-3H.
What are the key properties of 2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole?
2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole has a molecular weight of 293.55 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 63383605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).