3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole

C15H18N2S — CID 141004307

IUPAC3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole
SMILESCC1C2CCN1CC(c1nsc3ccccc13)C2
InChIInChI=1S/C15H18N2S/c1-10-11-6-7-17(10)9-12(8-11)15-13-4-2-3-5-14(13)18-16-15/h2-5,10-12H,6-9H2,1H3
InChIKeySWVCEFQUOXTHBG-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.49
Rot. Bonds1

About 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole

3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole (PubChem CID 141004307) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole.

Molecular Properties

Compound Name3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole
PubChem CID141004307
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole
SMILESCC1C2CCN1CC(c1nsc3ccccc13)C2
InChIInChI=1S/C15H18N2S/c1-10-11-6-7-17(10)9-12(8-11)15-13-4-2-3-5-14(13)18-16-15/h2-5,10-12H,6-9H2,1H3
InChIKeySWVCEFQUOXTHBG-UHFFFAOYSA-N
XLogP3.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole 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 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole?
The IUPAC name of 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole (CID 141004307) is 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole.
What is the SMILES notation for 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole?
The canonical SMILES for 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole is CC1C2CCN1CC(c1nsc3ccccc13)C2.
What is the InChIKey of 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole?
The InChIKey is SWVCEFQUOXTHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-10-11-6-7-17(10)9-12(8-11)15-13-4-2-3-5-14(13)18-16-15/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole?
3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole has a molecular weight of 258.39 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-1-azabicyclo[3.2.1]octan-3-yl)-1,2-benzothiazole is sourced from PubChem (CID 141004307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).