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

C8H3BrClFN2S — CID 102944127

IUPAC5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
SMILESFc1cc(Br)ccc1-c1nc(Cl)ns1
InChIInChI=1S/C8H3BrClFN2S/c9-4-1-2-5(6(11)3-4)7-12-8(10)13-14-7/h1-3H
InChIKeyUICRYGPNAXKBRJ-UHFFFAOYSA-N
MW293.55 g/mol
LogP3.76
Rot. Bonds1

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

5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole (PubChem CID 102944127) has the molecular formula C8H3BrClFN2S and a molecular weight of 293.55 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
PubChem CID102944127
Molecular FormulaC8H3BrClFN2S
Molecular Weight293.55 g/mol
Exact Mass291.89
IUPAC Name5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
SMILESFc1cc(Br)ccc1-c1nc(Cl)ns1
InChIInChI=1S/C8H3BrClFN2S/c9-4-1-2-5(6(11)3-4)7-12-8(10)13-14-7/h1-3H
InChIKeyUICRYGPNAXKBRJ-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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Related Compounds

3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943957
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
CID 59525067
3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole
CID 102944122
5-(4-bromo-2-chlorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943601
3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole
CID 102943984
3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
CID 102944087
2-(5-bromo-2-fluorophenyl)-4-chloro-1,3-thiazole
CID 83158213
3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
CID 106694860
5-(2,4-difluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 102943629
5-(2,4-dibromophenyl)-3-iodo-1,2,4-thiadiazole
CID 107948670
2-(4-bromo-2-fluorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114905340
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole (CID 102944127) is 5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole is Fc1cc(Br)ccc1-c1nc(Cl)ns1.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole?
The InChIKey is UICRYGPNAXKBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFN2S/c9-4-1-2-5(6(11)3-4)7-12-8(10)13-14-7/h1-3H.
What are the key properties of 5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole?
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-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 5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole is sourced from PubChem (CID 102944127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).