General Information of the Compound
Compound ID
CP0382755
Compound Name
N-cyclopentyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
    Show/Hide
Structure
Formula
C16H18N2OS
Molecular Weight
286.4
Canonical SMILES
Cc1nc(sc1C(=O)NC1CCCC1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C16H18N2OS/c1-11-14(15(19)18-13-9-5-6-10-13)20-16(17-11)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,18,19)
    Show/Hide
InChIKey
WKUCHBGDOUVQPM-UHFFFAOYSA-N
Physicochemical Property
logP
3.79092
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9123866
ChEMBL ID
CHEMBL4450238
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000883 HTLA Homo sapiens (Human)  1
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000883 HTLA Homo sapiens (Human)  1
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS