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

C15H18N2OS — CID 11208093

IUPAC2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole
SMILESCN1C2CCC1CC(Oc1nc3ccccc3s1)C2
InChIInChI=1S/C15H18N2OS/c1-17-10-6-7-11(17)9-12(8-10)18-15-16-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3
InChIKeyHSIMCXMSRKYJHQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.30
Rot. Bonds2

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

2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole (PubChem CID 11208093) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole
PubChem CID11208093
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole
SMILESCN1C2CCC1CC(Oc1nc3ccccc3s1)C2
InChIInChI=1S/C15H18N2OS/c1-17-10-6-7-11(17)9-12(8-10)18-15-16-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3
InChIKeyHSIMCXMSRKYJHQ-UHFFFAOYSA-N
XLogP3.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole?
The IUPAC name of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole (CID 11208093) is 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole.
What is the SMILES notation for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole?
The canonical SMILES for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole is CN1C2CCC1CC(Oc1nc3ccccc3s1)C2.
What is the InChIKey of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole?
The InChIKey is HSIMCXMSRKYJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17-10-6-7-11(17)9-12(8-10)18-15-16-13-4-2-3-5-14(13)19-15/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole?
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole has a molecular weight of 274.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-1,3-benzothiazole is sourced from PubChem (CID 11208093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).