General Information of the Compound
Compound ID
CP0933246
Compound Name
2-(o-toluidino)-5-ethylthiazol-4(5H)-one
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Synonyms
2-(o-toluidino)-5-ethylthiazol-4(5H)-one
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Structure
Formula
C12H14N2OS
Molecular Weight
234.324
Canonical SMILES
CCC1SC(Nc2ccccc2C)=NC1=O
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InChI
InChI=1S/C12H14N2OS/c1-3-10-11(15)14-12(16-10)13-9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3,(H,13,14,15)
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InChIKey
CWOSTWNWVJUZID-UHFFFAOYSA-N
Physicochemical Property
logP
2.81492
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
41.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 135450677
SID: 16740426
ChEMBL ID
CHEMBL523590
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: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(o-toluidino)-5-ethylthiazol-4(5H)-one )
Drug Name 2-(o-toluidino)-5-ethylthiazol-4(5H)-one
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
Inhibitor