1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine

C11H17N3OS — CID 66369468

IUPAC1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C11H17N3OS/c1-7(12)10-6-16-11(13-10)14-4-8-2-3-9(5-14)15-8/h6-9H,2-5,12H2,1H3
InChIKeyCHSOYNCWUXJQNE-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.53
Rot. Bonds2

About 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine

1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 66369468) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID66369468
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCC(N)c1csc(N2CC3CCC(C2)O3)n1
InChIInChI=1S/C11H17N3OS/c1-7(12)10-6-16-11(13-10)14-4-8-2-3-9(5-14)15-8/h6-9H,2-5,12H2,1H3
InChIKeyCHSOYNCWUXJQNE-UHFFFAOYSA-N
XLogP1.53
TPSA51.38 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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine (CID 66369468) is 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine is CC(N)c1csc(N2CC3CCC(C2)O3)n1.
What is the InChIKey of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is CHSOYNCWUXJQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(12)10-6-16-11(13-10)14-4-8-2-3-9(5-14)15-8/h6-9H,2-5,12H2,1H3.
What are the key properties of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 239.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 66369468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).