2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole

C10H8BrFN2S — CID 106882638

IUPAC2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(C)c(-c2nnc(Br)s2)c(F)c1
InChIInChI=1S/C10H8BrFN2S/c1-5-3-6(2)8(7(12)4-5)9-13-14-10(11)15-9/h3-4H,1-2H3
InChIKeyOQUJQMANTQDEBR-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.72
Rot. Bonds1

About 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole

2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole (PubChem CID 106882638) has the molecular formula C10H8BrFN2S and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole
PubChem CID106882638
Molecular FormulaC10H8BrFN2S
Molecular Weight287.16 g/mol
Exact Mass285.96
IUPAC Name2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole
SMILESCc1cc(C)c(-c2nnc(Br)s2)c(F)c1
InChIInChI=1S/C10H8BrFN2S/c1-5-3-6(2)8(7(12)4-5)9-13-14-10(11)15-9/h3-4H,1-2H3
InChIKeyOQUJQMANTQDEBR-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Mesityl-1,3,4-thiadiazol-2-amine
CID 3458420
2-(3-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazole
CID 44556653
2-Chloro-5-(3-fluoro-4-methylphenyl)-1,3,4-thiadiazole
CID 13318789
2-(Difluoromethylsulfanyl)-5-(2-methylphenyl)-1,3,4-thiadiazole
CID 20186074
2,3,5-Trimethyl-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzenecarbothioamide
CID 20713489
2-(2,3-Difluoro-4-methylphenyl)-5-methyl-1,3,4-thiadiazole
CID 22899585
2-Bromo-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 42281974
5-(5-Bromo-1,3,4-thiadiazol-2-yl)-2-fluorobenzonitrile
CID 58367249
2-(4-Propan-2-ylphenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 58689200
2-(4-Fluorophenyl)-5-heptyl-1,3,4-thiadiazole
CID 59545387
2-(4-Fluorophenyl)-5-[2-(4-methylphenyl)ethyl]-1,3,4-thiadiazole
CID 59545431
2-Bromo-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 63383896

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole (CID 106882638) is 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole is Cc1cc(C)c(-c2nnc(Br)s2)c(F)c1.
What is the InChIKey of 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole?
The InChIKey is OQUJQMANTQDEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2S/c1-5-3-6(2)8(7(12)4-5)9-13-14-10(11)15-9/h3-4H,1-2H3.
What are the key properties of 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole?
2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole has a molecular weight of 287.16 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 106882638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).