5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole

C11H17N3OS — CID 122269129

IUPAC5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole
SMILESCOC1CC2CCC(C1)N2c1nc(C)ns1
InChIInChI=1S/C11H17N3OS/c1-7-12-11(16-13-7)14-8-3-4-9(14)6-10(5-8)15-2/h8-10H,3-6H2,1-2H3
InChIKeyZBCOGRHFGHEITK-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.99
Rot. Bonds2

About 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole

5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole (PubChem CID 122269129) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole
PubChem CID122269129
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole
SMILESCOC1CC2CCC(C1)N2c1nc(C)ns1
InChIInChI=1S/C11H17N3OS/c1-7-12-11(16-13-7)14-8-3-4-9(14)6-10(5-8)15-2/h8-10H,3-6H2,1-2H3
InChIKeyZBCOGRHFGHEITK-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole (CID 122269129) is 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole is COC1CC2CCC(C1)N2c1nc(C)ns1.
What is the InChIKey of 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is ZBCOGRHFGHEITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7-12-11(16-13-7)14-8-3-4-9(14)6-10(5-8)15-2/h8-10H,3-6H2,1-2H3.
What are the key properties of 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole?
5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 239.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 122269129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).