N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine

C15H19N3S — CID 107093956

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine
SMILESCN1C2CCC1CC(Nc1ccc3ncsc3c1)C2
InChIInChI=1S/C15H19N3S/c1-18-12-3-4-13(18)7-11(6-12)17-10-2-5-14-15(8-10)19-9-16-14/h2,5,8-9,11-13,17H,3-4,6-7H2,1H3
InChIKeyZRLGBORLNUVISW-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.33
Rot. Bonds2

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine (PubChem CID 107093956) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine
PubChem CID107093956
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine
SMILESCN1C2CCC1CC(Nc1ccc3ncsc3c1)C2
InChIInChI=1S/C15H19N3S/c1-18-12-3-4-13(18)7-11(6-12)17-10-2-5-14-15(8-10)19-9-16-14/h2,5,8-9,11-13,17H,3-4,6-7H2,1H3
InChIKeyZRLGBORLNUVISW-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine (CID 107093956) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine is CN1C2CCC1CC(Nc1ccc3ncsc3c1)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine?
The InChIKey is ZRLGBORLNUVISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-18-12-3-4-13(18)7-11(6-12)17-10-2-5-14-15(8-10)19-9-16-14/h2,5,8-9,11-13,17H,3-4,6-7H2,1H3.
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine has a molecular weight of 273.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107093956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).