General Information of the Compound
Compound ID
CP0119106
Compound Name
1-phenyl-3-(1,3-thiazol-2-yl)thiourea
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Structure
Formula
C10H9N3S2
Molecular Weight
235.337
Canonical SMILES
S=C(Nc1nccs1)Nc1ccccc1
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InChI
InChI=1S/C10H9N3S2/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)
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InChIKey
GCZZOZBWAZHCAN-UHFFFAOYSA-N
CAS
14901-16-7
Physicochemical Property
logP
2.952
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
36.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
15

"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: 719408
SID: 15366381
ChEMBL ID
CHEMBL1256364
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 ~ 16360.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 5847.9 nM
   TI
   LI
   LO
   TS