General Information of the Compound
Compound ID
CP0214744
Compound Name
2-Aminothiazole
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Synonyms
1,3-Thiazol-2-amine
2-AMINOTHIAZOLE
2-Amino-1,3-thiazole
2-Aminothiazol
2-Aminothiazole, 97%
2-Thiazolamine
2-Thiazolylamine
2-Thiazylamine
2-amino thiazole
4-Thiazolin-2-onimine
96-50-4
Abadol
Abadole
Aminothiazol
Aminothiazol [INN-French]
Aminothiazole [INN]
Aminothiazoline
Aminothiazolum
Aminothiazolum [INN-Latin]
Aminotiazol
Aminotiazol [INN-Spanish]
Aminotiazolo [DCIT]
Basedol
CCRIS 1279
NSC 1900
RP 2921
Thiazol-2-ylamine
Thiazolamine
Thiazole, 2-amino-
UNII-5K8WKN668K
USAF EK-P-5501
aminothiazole
thiazol-2-amine
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Structure
Formula
C3H4N2S
Molecular Weight
100.146
Canonical SMILES
Nc1nccs1
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InChI
InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
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InChIKey
RAIPHJJURHTUIC-UHFFFAOYSA-N
CAS
96-50-4
58473-79-3
5654-01-3
Physicochemical Property
logP
0.7253
Rotatable Bonds
0
Heavy Atom Count
6
Polar Areas
38.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
6

"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: 2155
SID: 15170456
ChEMBL ID
CHEMBL344760
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: PT01718, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000395 ANA-1 [Mouse macrophage] Mus musculus (Mouse)  1
1
IC50 = 18000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 18000 nM
Clinical Information about the Compound
Drug 1 ( Aminothiazoline )
Drug Name Aminothiazoline
Target(s)
Nitric-oxide synthase inducible (NOS2)
Inhibitor