5-bromo-3-cyclohexyl-1,2,4-thiadiazole

C8H11BrN2S — CID 83900184

IUPAC5-bromo-3-cyclohexyl-1,2,4-thiadiazole
SMILESBrc1nc(C2CCCCC2)ns1
InChIInChI=1S/C8H11BrN2S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyGSAXVZAOVPXBDD-UHFFFAOYSA-N
MW247.16 g/mol
LogP3.35
Rot. Bonds1

About 5-bromo-3-cyclohexyl-1,2,4-thiadiazole

5-bromo-3-cyclohexyl-1,2,4-thiadiazole (PubChem CID 83900184) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is 5-bromo-3-cyclohexyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-cyclohexyl-1,2,4-thiadiazole
PubChem CID83900184
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name5-bromo-3-cyclohexyl-1,2,4-thiadiazole
SMILESBrc1nc(C2CCCCC2)ns1
InChIInChI=1S/C8H11BrN2S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyGSAXVZAOVPXBDD-UHFFFAOYSA-N
XLogP3.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-cyclohexyl-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-cyclohexyl-1,2,4-thiadiazole (CID 83900184) is 5-bromo-3-cyclohexyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-cyclohexyl-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-cyclohexyl-1,2,4-thiadiazole is Brc1nc(C2CCCCC2)ns1.
What is the InChIKey of 5-bromo-3-cyclohexyl-1,2,4-thiadiazole?
The InChIKey is GSAXVZAOVPXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2S/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 5-bromo-3-cyclohexyl-1,2,4-thiadiazole?
5-bromo-3-cyclohexyl-1,2,4-thiadiazole has a molecular weight of 247.16 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-cyclohexyl-1,2,4-thiadiazole is sourced from PubChem (CID 83900184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).