General Information of the Compound
Compound ID
CP0067692
Compound Name
2-(Sulfanilylamino)thiazole
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Structure
Formula
C9H9N3O2S2
Molecular Weight
255.324
Canonical SMILES
Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
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InChI
InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)
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InChIKey
JNMRHUJNCSQMMB-UHFFFAOYSA-N
CAS
158269-46-6
6052-33-1
72-14-0
Physicochemical Property
logP
1.5261
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
85.08
Hydrogen Bond Donor Count
2
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: 5340
SID: 15122365
ChEMBL ID
CHEMBL437
DrugBank ID
DB06147
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: PT01785, Endothelin-1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000139 A-10 Rattus norvegicus (Rat)  1
1
IC50 = 69000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02223, Protein arginine N-methyltransferase 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 430000 nM
   TI
   LI
   LO
   TS