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

C12H19N3OS — CID 114199709

IUPAC5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OC2CC3CCC(C2)N3)n1
InChIInChI=1S/C12H19N3OS/c1-7(2)11-14-12(17-15-11)16-10-5-8-3-4-9(6-10)13-8/h7-10,13H,3-6H2,1-2H3
InChIKeyRGHIZPGFUNYREZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.32
Rot. Bonds3

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

5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 114199709) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID114199709
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(OC2CC3CCC(C2)N3)n1
InChIInChI=1S/C12H19N3OS/c1-7(2)11-14-12(17-15-11)16-10-5-8-3-4-9(6-10)13-8/h7-10,13H,3-6H2,1-2H3
InChIKeyRGHIZPGFUNYREZ-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole (CID 114199709) is 5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(OC2CC3CCC(C2)N3)n1.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is RGHIZPGFUNYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-7(2)11-14-12(17-15-11)16-10-5-8-3-4-9(6-10)13-8/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole?
5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 253.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 114199709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).