General Information of the Compound
Compound ID
CP0356411
Compound Name
5-Methyl-2-p-tolyl-thiazol-4-ol
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Synonyms
131786-76-0
4-Thiazolol, 5-methyl-2-(4-methylphenyl)-
5-Methyl-2-p-tolyl-thiazol-4-ol
BDBM50012393
CHEMBL69094
SCHEMBL9629237
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Structure
Formula
C11H11NOS
Molecular Weight
205.282
Canonical SMILES
Cc1sc(nc1O)-c1ccc(C)cc1
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InChI
InChI=1S/C11H11NOS/c1-7-3-5-9(6-4-7)11-12-10(13)8(2)14-11/h3-6,13H,1-2H3
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InChIKey
CKXYNXQZWQQOOO-UHFFFAOYSA-N
Physicochemical Property
logP
3.13254
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 15691812
ChEMBL ID
CHEMBL69094
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 630 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1200 nM
Clinical Information about the Compound
Drug 1 ( 5-Methyl-2-p-tolyl-thiazol-4-ol )
Drug Name 5-Methyl-2-p-tolyl-thiazol-4-ol
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor