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

C10H15N3OS — CID 14763536

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(C2CN3CCC2CC3)n1
InChIInChI=1S/C10H15N3OS/c1-14-10-11-9(15-12-10)8-6-13-4-2-7(8)3-5-13/h7-8H,2-6H2,1H3
InChIKeyKKPUDUPGANMGRX-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.36
Rot. Bonds2

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

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole (PubChem CID 14763536) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole
PubChem CID14763536
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(C2CN3CCC2CC3)n1
InChIInChI=1S/C10H15N3OS/c1-14-10-11-9(15-12-10)8-6-13-4-2-7(8)3-5-13/h7-8H,2-6H2,1H3
InChIKeyKKPUDUPGANMGRX-UHFFFAOYSA-N
XLogP1.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole (CID 14763536) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole is COc1nsc(C2CN3CCC2CC3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole?
The InChIKey is KKPUDUPGANMGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-14-10-11-9(15-12-10)8-6-13-4-2-7(8)3-5-13/h7-8H,2-6H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole has a molecular weight of 225.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole is sourced from PubChem (CID 14763536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).