9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one

C15H22N2OS — CID 55106218

IUPAC9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCc1nc(C)c(C(C)N2C3CCCC2CC(=O)C3)s1
InChIInChI=1S/C15H22N2OS/c1-9-15(19-11(3)16-9)10(2)17-12-5-4-6-13(17)8-14(18)7-12/h10,12-13H,4-8H2,1-3H3
InChIKeyCEIRMTBPOQRHEO-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.41
Rot. Bonds2

About 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one

9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 55106218) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID55106218
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESCc1nc(C)c(C(C)N2C3CCCC2CC(=O)C3)s1
InChIInChI=1S/C15H22N2OS/c1-9-15(19-11(3)16-9)10(2)17-12-5-4-6-13(17)8-14(18)7-12/h10,12-13H,4-8H2,1-3H3
InChIKeyCEIRMTBPOQRHEO-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one 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 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 55106218) is 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one is Cc1nc(C)c(C(C)N2C3CCCC2CC(=O)C3)s1.
What is the InChIKey of 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is CEIRMTBPOQRHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-9-15(19-11(3)16-9)10(2)17-12-5-4-6-13(17)8-14(18)7-12/h10,12-13H,4-8H2,1-3H3.
What are the key properties of 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 278.42 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 55106218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).