General
Preferred name
AMINOTHIAZOLE
Synonyms
2-Thiazolylamine ()
2-Aminothiazole ()
Aminothiazoline ()
2-Aminothiazole,2-Thiazolylamine ()
RP 2921 ()
NSC-1900 ()
RP-2921 ()
P&D ID
PD001106
CAS
96-50-4
5654-01-3
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Aminothiazole can be used as a thyroid inhibitor and it has antibacterial activity.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
9
BOC Sciences Bioactive Compounds
ChEMBL Drugs
Drug Repurposing Hub
DrugMAP
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Molecular Weight
100.01
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
0.73
TPSA
38.91
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
5.0
QED
0.52
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology&virology
Anti-infection
Target
antibiotic
NOS2
Bacterial
Fungal
Virus Protease
MOA
cyclin D inhibitor
Solubility
In Vitro:<br/>DMSO : ≥ 50 mg/mL(499.30 mM)<br/>In Vivo:<br/>1.Add each solvent one by one:10% DMSO >>40%PEG300 >>5%Tween-80 >>45% saline<br/>Solubility: ≥ 2.5 mg/mL (24.97 mM)
Clear solution<br/>2.Add each solvent one by one:10% DMSO >>90% (20%SBE-β-CDin saline)<br/>Solubility: ≥ 2.5 mg/mL (24.97 mM)
Clear solution
Source data
