General Information of the Compound
Compound ID
CP0196431
Compound Name
N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
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Structure
Formula
C9H7N3OS
Molecular Weight
205.242
Canonical SMILES
O=C(Nc1nccs1)c1ccccn1
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InChI
InChI=1S/C9H7N3OS/c13-8(7-3-1-2-4-10-7)12-9-11-5-6-14-9/h1-6H,(H,11,12,13)
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InChIKey
VBKFWWCJLMRGEK-UHFFFAOYSA-N
Physicochemical Property
logP
1.7904
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 1070711
SID: 57280901
ChEMBL ID
CHEMBL89671
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT00973, Methionine aminopeptidase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 25800 nM
   TI
   LI
   LO
   TS