3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole

C9H8BrN3S — CID 102943434

IUPAC3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole
SMILESCc1ccc(-c2nc(Br)ns2)c(C)n1
InChIInChI=1S/C9H8BrN3S/c1-5-3-4-7(6(2)11-5)8-12-9(10)13-14-8/h3-4H,1-2H3
InChIKeyYUQNDSUNAWKLKF-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.98
Rot. Bonds1

About 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole

3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole (PubChem CID 102943434) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole
PubChem CID102943434
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC Name3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole
SMILESCc1ccc(-c2nc(Br)ns2)c(C)n1
InChIInChI=1S/C9H8BrN3S/c1-5-3-4-7(6(2)11-5)8-12-9(10)13-14-8/h3-4H,1-2H3
InChIKeyYUQNDSUNAWKLKF-UHFFFAOYSA-N
XLogP2.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-(2-tert-butylphenyl)-1,2,4-thiadiazole
CID 102943332
3-bromo-5-(5-fluoro-2-methylphenyl)-1,2,4-thiadiazole
CID 102943436
3-bromo-5-(5,6-dimethyl-2-pyridinyl)-1,2,4-thiadiazole
CID 130689955
3-bromo-5-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
CID 155681917
3-bromo-5-(2,6-difluorophenyl)-1,2,4-thiadiazole
CID 102943421
3-bromo-5-(2,6-dichlorophenyl)-1,2,4-thiadiazole
CID 102943171
5-(1-benzofuran-3-yl)-3-bromo-1,2,4-thiadiazole
CID 102943393
3-bromo-5-(5-ethylfuran-2-yl)-1,2,4-thiadiazole
CID 102943280
3-bromo-5-(3-chloro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943208
6-(2,6-dimethyl-3-pyridinyl)-1,3,5-triazine-2,4-diamine
CID 112681460
3-bromo-5-(3,5-difluorophenyl)-1,2,4-thiadiazole
CID 102943456
ethane;3-fluoro-2,6-dimethylpyridine
CID 143091360

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole (CID 102943434) is 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole is Cc1ccc(-c2nc(Br)ns2)c(C)n1.
What is the InChIKey of 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole?
The InChIKey is YUQNDSUNAWKLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c1-5-3-4-7(6(2)11-5)8-12-9(10)13-14-8/h3-4H,1-2H3.
What are the key properties of 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole?
3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole has a molecular weight of 270.16 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2,6-dimethyl-3-pyridinyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).