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

C9H6BrFN2S — CID 102943436

IUPAC3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(F)cc1-c1nc(Br)ns1
InChIInChI=1S/C9H6BrFN2S/c1-5-2-3-6(11)4-7(5)8-12-9(10)13-14-8/h2-4H,1H3
InChIKeyONDAKEZKXRCRLU-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.42
Rot. Bonds1

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

3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole (PubChem CID 102943436) has the molecular formula C9H6BrFN2S and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole
PubChem CID102943436
Molecular FormulaC9H6BrFN2S
Molecular Weight273.13 g/mol
Exact Mass271.94
IUPAC Name3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(F)cc1-c1nc(Br)ns1
InChIInChI=1S/C9H6BrFN2S/c1-5-2-3-6(11)4-7(5)8-12-9(10)13-14-8/h2-4H,1H3
InChIKeyONDAKEZKXRCRLU-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

3-bromo-5-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
CID 155681917
4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole
CID 79831720
3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
CID 102943456
3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole
CID 102943434
3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole
CID 102943421
5-bromo-4,6-dichloro-2-(5-fluoro-2-methylphenyl)pyrimidine
CID 66314548
3-bromo-5-(2-tert-butylphenyl)-1,2,4-thiadiazole
CID 102943332
2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422773
2-(5-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395624
2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole
CID 114771109
3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
CID 102943492
5-(2-chloro-5-fluorophenyl)-3-iodo-1,2,4-thiadiazole
CID 130678272

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole (CID 102943436) is 3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole is Cc1ccc(F)cc1-c1nc(Br)ns1.
What is the InChIKey of 3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is ONDAKEZKXRCRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2S/c1-5-2-3-6(11)4-7(5)8-12-9(10)13-14-8/h2-4H,1H3.
What are the key properties of 3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole?
3-bromo-5-(5-fluoro-2-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 3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).