Common name
N,N-dimethyl-1-thiazol-2-yl-methanamine
IUPAC name
N,N-dimethyl-1-thiazol-2-yl-methanamine
SMILES
C(N(C)C)c1sccn1
Common name
N,N-dimethyl-1-thiazol-2-yl-methanamine
IUPAC name
N,N-dimethyl-1-thiazol-2-yl-methanamine
SMILES
C(N(C)C)c1sccn1
INCHI
InChI=1S/C6H10N2S/c1-8(2)5-6-7-3-4-9-6/h3-4H,5H2,1-2H3
FORMULA
C6H10N2S
Common name
N,N-dimethyl-1-thiazol-2-yl-methanamine
IUPAC name
N,N-dimethyl-1-thiazol-2-yl-methanamine
Molecular weight
142.222
clogP
1.873
clogS
-1.481
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
44.37
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00450 | Nizatidine |
|
Anti-Ulcer Agents; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; H2 Antagonists; | For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, active benign gastric ulcer, and active duodenal ulcer. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_frag_5.mol2 | 4m3b | 0.617021 | -5.97 | c1nc(sc1)C | 6 |
| 4m3g_ligand_frag_0.mol2 | 4m3g | 0.617021 | -5.94 | Cc1nccs1 | 6 |
| 4m3f_ligand_frag_5.mol2 | 4m3f | 0.617021 | -5.93 | c1nc(sc1)C | 6 |
| 4m3e_ligand_1_5.mol2 | 4m3e | 0.617021 | -5.91 | c1nc(sc1)C | 6 |
| 2feq_ligand_1_1.mol2 | 2feq | 0.617021 | -5.77 | Cc1nccs1 | 6 |
| 1ayv_ligand_1_3.mol2 | 1ayv | 0.617021 | -5.51 | c1(sccn1)C | 6 |
| 4ode_ligand_1_8.mol2 | 4ode | 0.617021 | -5.51 | Cc1sccn1 | 6 |
| 2fde_ligand_frag_13.mol2 | 2fde | 0.617021 | -5.19 | c1nc(sc1)C | 6 |
| 1yt9_ligand_frag_4.mol2 | 1yt9 | 0.617021 | -5.18 | n1ccsc1C | 6 |
| 2fdd_ligand_frag_13.mol2 | 2fdd | 0.617021 | -5.06 | c1nc(sc1)C | 6 |
124 ,
13
