General Information of the Compound
Compound ID
CP0388207
Compound Name
1-(4-methyl-2-(3-(piperidin-1-yl)propylthio)thiazol-5-yl)ethanone
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Structure
Formula
C14H22N2OS2
Molecular Weight
298.477
Canonical SMILES
CC(=O)c1sc(SCCCN2CCCCC2)nc1C
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InChI
InChI=1S/C14H22N2OS2/c1-11-13(12(2)17)19-14(15-11)18-10-6-9-16-7-4-3-5-8-16/h3-10H2,1-2H3
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InChIKey
SJJJVOAWWXQIDM-UHFFFAOYSA-N
Physicochemical Property
logP
3.62222
Rotatable Bonds
6
Heavy Atom Count
19
Polar Areas
33.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 52941450
ChEMBL ID
CHEMBL1256194
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS