N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine

C15H19N3S — CID 66636896

IUPACN-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NC[C@@H]3CN4CCC3CC4)cc2s1
InChIInChI=1S/C15H19N3S/c1-2-14-15(19-10-17-14)7-13(1)16-8-12-9-18-5-3-11(12)4-6-18/h1-2,7,10-12,16H,3-6,8-9H2/t12-/m1/s1
InChIKeyFFCCJECTCDWZIA-GFCCVEGCSA-N
MW273.40 g/mol
LogP3.05
Rot. Bonds3

About N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine

N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine (PubChem CID 66636896) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine
PubChem CID66636896
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine
SMILESc1nc2ccc(NC[C@@H]3CN4CCC3CC4)cc2s1
InChIInChI=1S/C15H19N3S/c1-2-14-15(19-10-17-14)7-13(1)16-8-12-9-18-5-3-11(12)4-6-18/h1-2,7,10-12,16H,3-6,8-9H2/t12-/m1/s1
InChIKeyFFCCJECTCDWZIA-GFCCVEGCSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine
CID 114003116
N-[(4-aminocyclohexyl)methyl]-1,3-benzothiazol-6-amine
CID 59230547
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103773135
N-(2-methylpentyl)-1,3-benzothiazol-6-amine
CID 107803861
N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803867
N-[(4,5-dibromofuran-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804067
N-[1-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-6-amine
CID 103936360
N-[(4-methylphenyl)methyl]-1,3-benzothiazol-6-amine
CID 103818874
5-(1,3-benzothiazol-6-ylamino)pentan-1-ol
CID 103868012
4-(1,3-benzothiazol-6-ylamino)cyclohexan-1-ol
CID 107803944
4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine (CID 66636896) is N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine is c1nc2ccc(NC[C@@H]3CN4CCC3CC4)cc2s1.
What is the InChIKey of N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine?
The InChIKey is FFCCJECTCDWZIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-14-15(19-10-17-14)7-13(1)16-8-12-9-18-5-3-11(12)4-6-18/h1-2,7,10-12,16H,3-6,8-9H2/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine?
N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine has a molecular weight of 273.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66636896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).