4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one

C11H17N3OS — CID 106379631

IUPAC4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCN3CCC2C3)cs1
InChIInChI=1S/C11H17N3OS/c15-11-13-9(7-16-11)5-12-10-2-4-14-3-1-8(10)6-14/h7-8,10,12H,1-6H2,(H,13,15)
InChIKeyOZKCJHAPTWPAOY-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.62
Rot. Bonds3

About 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379631) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379631
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCN3CCC2C3)cs1
InChIInChI=1S/C11H17N3OS/c15-11-13-9(7-16-11)5-12-10-2-4-14-3-1-8(10)6-14/h7-8,10,12H,1-6H2,(H,13,15)
InChIKeyOZKCJHAPTWPAOY-UHFFFAOYSA-N
XLogP0.62
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-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 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379631) is 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCN3CCC2C3)cs1.
What is the InChIKey of 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OZKCJHAPTWPAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c15-11-13-9(7-16-11)5-12-10-2-4-14-3-1-8(10)6-14/h7-8,10,12H,1-6H2,(H,13,15).
What are the key properties of 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 239.34 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).