5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole

C9H6BrFN2S — CID 102618259

IUPAC5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cc(F)cc(-c2nsc(Br)n2)c1
InChIInChI=1S/C9H6BrFN2S/c1-5-2-6(4-7(11)3-5)8-12-9(10)14-13-8/h2-4H,1H3
InChIKeyJJWXONSLHCNYNX-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.42
Rot. Bonds1

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

5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole (PubChem CID 102618259) has the molecular formula C9H6BrFN2S and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole
PubChem CID102618259
Molecular FormulaC9H6BrFN2S
Molecular Weight273.13 g/mol
Exact Mass271.94
IUPAC Name5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cc(F)cc(-c2nsc(Br)n2)c1
InChIInChI=1S/C9H6BrFN2S/c1-5-2-6(4-7(11)3-5)8-12-9(10)14-13-8/h2-4H,1H3
InChIKeyJJWXONSLHCNYNX-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole
CID 83901137
2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
3-(3,5-difluorophenyl)-5-iodo-1,2,4-thiadiazole
CID 102618587
N-tert-butyl-3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-amine
CID 65268612
5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole
CID 130900532
5-(4-fluorophenyl)-3-(4-methylphenyl)-1,2,4-thiadiazole
CID 22611069
3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
CID 102943456
4-bromo-3-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 115296620
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
4-chloro-2-(3-fluoro-5-methylphenyl)-1,3-thiazole
CID 83157998
2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740173
5-bromo-3-(2,3-dihydro-1H-inden-5-yl)-1,2,4-thiadiazole
CID 130571869

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole (CID 102618259) is 5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole is Cc1cc(F)cc(-c2nsc(Br)n2)c1.
What is the InChIKey of 5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is JJWXONSLHCNYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2S/c1-5-2-6(4-7(11)3-5)8-12-9(10)14-13-8/h2-4H,1H3.
What are the key properties of 5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole?
5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole has a molecular weight of 273.13 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-fluoro-5-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).