5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole

C10H13BrN2S — CID 102943183

IUPAC5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole
SMILESBrc1nsc(CC2CC3CCC2C3)n1
InChIInChI=1S/C10H13BrN2S/c11-10-12-9(14-13-10)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyAGWXZIRQNPUNLU-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.28
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole

5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole (PubChem CID 102943183) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole
PubChem CID102943183
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole
SMILESBrc1nsc(CC2CC3CCC2C3)n1
InChIInChI=1S/C10H13BrN2S/c11-10-12-9(14-13-10)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyAGWXZIRQNPUNLU-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Bromo-5-[2-(trifluoromethyl)cyclohexyl]-1,2,4-thiadiazole
CID 102943337
5-(2-Bicyclo[2.2.1]heptanyl)-3-methyl-1,2,4-thiadiazole
CID 58610421
5-(2-Norbornyl)-3-methylthio-1,2,4-thiadiazole
CID 58610434
5-(2-Bicyclo[2.2.1]heptanyl)-3-propoxy-1,2,4-thiadiazole
CID 71160405
5-(2-Bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazole
CID 89324242
5-(2-Bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazol-3-amine
CID 64536603
5-(2-Bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-3-amine
CID 64536798
3-(2-Bicyclo[2.2.1]heptanyl)-5-bromo-1,2,4-thiadiazole
CID 102618042
3-(2-Bicyclo[2.2.1]heptanyl)-5-iodo-1,2,4-thiadiazole
CID 102618503
3-Bromo-5-(2-cyclohexylethyl)-1,2,4-thiadiazole
CID 102943186
3-Bromo-5-(cyclohexylmethyl)-1,2,4-thiadiazole
CID 102943191
5-(6-Bicyclo[3.1.0]hexanyl)-3-bromo-1,2,4-thiadiazole
CID 102943214

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole (CID 102943183) is 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole is Brc1nsc(CC2CC3CCC2C3)n1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole?
The InChIKey is AGWXZIRQNPUNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S/c11-10-12-9(14-13-10)5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole?
5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole has a molecular weight of 273.20 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-1,2,4-thiadiazole is sourced from PubChem (CID 102943183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).