4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one

C10H14N2OS — CID 19018568

IUPAC4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CN3CCC2CC3)cs1
InChIInChI=1S/C10H14N2OS/c13-10-11-9(6-14-10)8-5-12-3-1-7(8)2-4-12/h6-8H,1-5H2,(H,11,13)
InChIKeyGAGWCTQTQQDOQR-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.25
Rot. Bonds1

About 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one

4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one (PubChem CID 19018568) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one
PubChem CID19018568
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CN3CCC2CC3)cs1
InChIInChI=1S/C10H14N2OS/c13-10-11-9(6-14-10)8-5-12-3-1-7(8)2-4-12/h6-8H,1-5H2,(H,11,13)
InChIKeyGAGWCTQTQQDOQR-UHFFFAOYSA-N
XLogP1.25
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one (CID 19018568) is 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one is O=c1[nH]c(C2CN3CCC2CC3)cs1.
What is the InChIKey of 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one?
The InChIKey is GAGWCTQTQQDOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-10-11-9(6-14-10)8-5-12-3-1-7(8)2-4-12/h6-8H,1-5H2,(H,11,13).
What are the key properties of 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one?
4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one has a molecular weight of 210.30 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[2.2.2]octan-3-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 19018568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).