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

C9H6BrClN2S — CID 102943208

IUPAC3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cc(Cl)cc(-c2nc(Br)ns2)c1
InChIInChI=1S/C9H6BrClN2S/c1-5-2-6(4-7(11)3-5)8-12-9(10)13-14-8/h2-4H,1H3
InChIKeyQTUVXJLORKBLED-UHFFFAOYSA-N
MW289.59 g/mol
LogP3.93
Rot. Bonds1

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

3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole (PubChem CID 102943208) has the molecular formula C9H6BrClN2S and a molecular weight of 289.59 g/mol. Its IUPAC name is 3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole
PubChem CID102943208
Molecular FormulaC9H6BrClN2S
Molecular Weight289.59 g/mol
Exact Mass287.91
IUPAC Name3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole
SMILESCc1cc(Cl)cc(-c2nc(Br)ns2)c1
InChIInChI=1S/C9H6BrClN2S/c1-5-2-6(4-7(11)3-5)8-12-9(10)13-14-8/h2-4H,1H3
InChIKeyQTUVXJLORKBLED-UHFFFAOYSA-N
XLogP3.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.59
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
CID 102943456
2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole
CID 81325135
3-bromo-5-(4-fluoro-3-methoxyphenyl)-1,2,4-thiadiazole
CID 102943492
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-thiadiazole
CID 81325218
4-(3-bromo-1,2,4-thiadiazol-5-yl)-N,N-dimethylaniline
CID 102943222
3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole
CID 102943171
3-bromo-5-(5,6-dimethyl-2-pyridinyl)-1,2,4-thiadiazole
CID 130689955
1,2,4-trichloro-5-(3-chloro-5-methylphenyl)benzene
CID 134627246
3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole
CID 102943421
1-[5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81324350
3-bromo-5-(2-tert-butylphenyl)-1,2,4-thiadiazole
CID 102943332
5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572269

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole (CID 102943208) is 3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole is Cc1cc(Cl)cc(-c2nc(Br)ns2)c1.
What is the InChIKey of 3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole?
The InChIKey is QTUVXJLORKBLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2S/c1-5-2-6(4-7(11)3-5)8-12-9(10)13-14-8/h2-4H,1H3.
What are the key properties of 3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole?
3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole has a molecular weight of 289.59 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).