5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole

C11H17N3S — CID 14763528

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(C2CN3CCC2CC3)n1
InChIInChI=1S/C11H17N3S/c1-2-10-12-11(15-13-10)9-7-14-5-3-8(9)4-6-14/h8-9H,2-7H2,1H3
InChIKeyRTKRHFIPTZHVGQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.91
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole (PubChem CID 14763528) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole
PubChem CID14763528
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(C2CN3CCC2CC3)n1
InChIInChI=1S/C11H17N3S/c1-2-10-12-11(15-13-10)9-7-14-5-3-8(9)4-6-14/h8-9H,2-7H2,1H3
InChIKeyRTKRHFIPTZHVGQ-UHFFFAOYSA-N
XLogP1.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole (CID 14763528) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(C2CN3CCC2CC3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is RTKRHFIPTZHVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-2-10-12-11(15-13-10)9-7-14-5-3-8(9)4-6-14/h8-9H,2-7H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 223.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 14763528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).