N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

C12H19N3S — CID 105364634

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(NC1CCN2CCC1C2)c1nccs1
InChIInChI=1S/C12H19N3S/c1-9(12-13-4-7-16-12)14-11-3-6-15-5-2-10(11)8-15/h4,7,9-11,14H,2-3,5-6,8H2,1H3
InChIKeySSYZFHIEWMFDTF-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.89
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364634) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364634
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESCC(NC1CCN2CCC1C2)c1nccs1
InChIInChI=1S/C12H19N3S/c1-9(12-13-4-7-16-12)14-11-3-6-15-5-2-10(11)8-15/h4,7,9-11,14H,2-3,5-6,8H2,1H3
InChIKeySSYZFHIEWMFDTF-UHFFFAOYSA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-2-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364633
N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64993624
N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130941268
N-[(1R)-1-pyridin-3-ylethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364766
4-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]cyclohexan-1-ol
CID 96824330
N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364354
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]cycloheptan-1-amine
CID 65090996
N-[1-(4-methylsulfanylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364028
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745635
N-[(1R)-1-(3-methylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364745
1-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459169
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105364634) is N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is CC(NC1CCN2CCC1C2)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is SSYZFHIEWMFDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9(12-13-4-7-16-12)14-11-3-6-15-5-2-10(11)8-15/h4,7,9-11,14H,2-3,5-6,8H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 237.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).