General Information of the Compound
Compound ID
CP0467981
Compound Name
2-Amino-1,3-thiazol-4(5H)-one, 7b
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Structure
Formula
C16H24N2OS
Molecular Weight
292.448
Canonical SMILES
CCC1(CC)SC(NC23CC4CC2CC(C3)C4)=NC1=O
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InChI
InChI=1S/C16H24N2OS/c1-3-16(4-2)13(19)17-14(20-16)18-15-8-10-5-11(9-15)7-12(15)6-10/h10-12H,3-9H2,1-2H3,(H,17,18,19)
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InChIKey
AMSJQALMTUAGIU-UHFFFAOYSA-N
Physicochemical Property
logP
3.3429
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
41.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 135783334
ChEMBL ID
CHEMBL469158
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: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS