N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine

C16H19N3S — CID 60928321

IUPACN-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1csc(-c2ccc(NC3CN4CCC3CC4)cc2)n1
InChIInChI=1S/C16H19N3S/c1-3-14(4-2-13(1)16-17-7-10-20-16)18-15-11-19-8-5-12(15)6-9-19/h1-4,7,10,12,15,18H,5-6,8-9,11H2
InChIKeyZMDIRULZJOWNBQ-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.32
Rot. Bonds3

About N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 60928321) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID60928321
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1csc(-c2ccc(NC3CN4CCC3CC4)cc2)n1
InChIInChI=1S/C16H19N3S/c1-3-14(4-2-13(1)16-17-7-10-20-16)18-15-11-19-8-5-12(15)6-9-19/h1-4,7,10,12,15,18H,5-6,8-9,11H2
InChIKeyZMDIRULZJOWNBQ-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-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-cyclohexyl-4-(1,3-thiazol-2-yl)aniline
CID 54861949
N-[4-(1,3-thiazol-2-yl)phenyl]oxan-4-amine
CID 54862523
(3R)-N-(4-iodophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28975416
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol
CID 112633777
N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline
CID 63448733
3-hydroxy-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 75502898
N-(3,3-dimethylcyclopentyl)-4-(1,3-thiazol-2-yl)aniline
CID 80705391
3-N-(1-azabicyclo[2.2.2]octan-3-yl)pyrazine-2,3-diamine
CID 102983633
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617024
N-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121635
N-(4-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43732240

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 60928321) is N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine is c1csc(-c2ccc(NC3CN4CCC3CC4)cc2)n1.
What is the InChIKey of N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is ZMDIRULZJOWNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-14(4-2-13(1)16-17-7-10-20-16)18-15-11-19-8-5-12(15)6-9-19/h1-4,7,10,12,15,18H,5-6,8-9,11H2.
What are the key properties of N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 285.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 60928321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).