Molecular Details
DICL_CP_0307372
- 5,6-dihydro-4H-1,3-thiazin-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307372
PubChem CID
Molecular Formula
C4H8N2S Molecular Weight
116.189 g/mol
Synonyms/Alias
[5;6-Dihydro-4H-1;3-thiazin-2-amine; 2-Amino-5;6-dihydro-4H-1;3-thiazine; 30480-64-9; [1;3]Thiazinan-(2E)-ylideneamine; CHEMBL306541; 2-Iminotetrahydro-1;3-thiazine; SCHEMBL30950; DTXSID60184552; [1;3...
InChI Key
PQXQEOIFIUJLIE-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2S/c5-4-6-2-1-3-7-4/h1-3H2,(H2,5,6)
IUPAC Name
5,6-dihydro-4H-1,3-thiazin-2-amine
CAS Number
7361-61-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
15 15 0 0 0 0 0 0 0 0999 V2000
-1.5910 0.1373 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8833 -1.2297 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5075 -1.076...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 160000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
22 °C
Test Method
Binding assay ([3H] (-)-Nicotine)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
7
Rotatable Bonds
0
logP
0.438
Complexity
33.5644
TPSA (Ų)
38.38
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
1