8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol

C11H17N3OS — CID 65274609

IUPAC8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C11H17N3OS/c1-2-10-12-11(16-13-10)14-7-3-4-8(14)6-9(15)5-7/h7-9,15H,2-6H2,1H3
InChIKeyOPIMWHQMLDQIPZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.59
Rot. Bonds2

About 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65274609) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65274609
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C11H17N3OS/c1-2-10-12-11(16-13-10)14-7-3-4-8(14)6-9(15)5-7/h7-9,15H,2-6H2,1H3
InChIKeyOPIMWHQMLDQIPZ-UHFFFAOYSA-N
XLogP1.59
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 65274609) is 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is CCc1nsc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OPIMWHQMLDQIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-10-12-11(16-13-10)14-7-3-4-8(14)6-9(15)5-7/h7-9,15H,2-6H2,1H3.
What are the key properties of 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 239.34 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65274609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).