General Information of the Compound
Compound ID
CP0141586
Compound Name
6-(1-methylpyrazol-4-yl)-1,3-benzothiazol-2-amine
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Structure
Formula
C11H10N4S
Molecular Weight
230.296
Canonical SMILES
Cn1cc(cn1)-c1ccc2nc(N)sc2c1
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InChI
InChI=1S/C11H10N4S/c1-15-6-8(5-13-15)7-2-3-9-10(4-7)16-11(12)14-9/h2-6H,1H3,(H2,12,14)
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InChIKey
RPSUOVPWIGAZEJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.279
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
56.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 39733146
ChEMBL ID
CHEMBL3600770
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: PT01034, Phosphatidylinositol 4-kinase beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1258.93 nM
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