Common name
2-methylthiazole
IUPAC name
2-methylthiazole
SMILES
Cc1sccn1
Common name
2-methylthiazole
IUPAC name
2-methylthiazole
SMILES
Cc1sccn1
INCHI
InChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3
FORMULA
C4H5NS
Common name
2-methylthiazole
IUPAC name
2-methylthiazole
Molecular weight
99.154
clogP
2.676
clogS
-1.298
Frequency
0.0007
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
41.13
Number of Rings
1
Rotatable Bond
0
| 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. |
| FDBD01330 | Ixabepilone |
|
Antineoplastic Agents; Antineoplastic and Immunomodulating Agents; Cytotoxic Antibiotics and Related Substances; CYP3A4 Inhibitors; | Investigated for use/treatment in breast cancer, head and neck cancer, melanoma, lung cancer, lymphoma (non-hodgkin's), prostate cancer, renal cell carcinoma, and cancer/tumors (unspecified). |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_frag_5.mol2 | 4m3b | 1 | -5.97 | c1nc(sc1)C | 6 |
| 4m3g_ligand_frag_0.mol2 | 4m3g | 1 | -5.94 | Cc1nccs1 | 6 |
| 4m3f_ligand_frag_5.mol2 | 4m3f | 1 | -5.93 | c1nc(sc1)C | 6 |
| 4m3e_ligand_1_5.mol2 | 4m3e | 1 | -5.91 | c1nc(sc1)C | 6 |
| 2feq_ligand_1_1.mol2 | 2feq | 1 | -5.77 | Cc1nccs1 | 6 |
| 1ayv_ligand_1_3.mol2 | 1ayv | 1 | -5.51 | c1(sccn1)C | 6 |
| 4ode_ligand_1_8.mol2 | 4ode | 1 | -5.51 | Cc1sccn1 | 6 |
| 2fde_ligand_frag_13.mol2 | 2fde | 1 | -5.19 | c1nc(sc1)C | 6 |
| 1yt9_ligand_frag_4.mol2 | 1yt9 | 1 | -5.18 | n1ccsc1C | 6 |
| 2fdd_ligand_frag_13.mol2 | 2fdd | 1 | -5.06 | c1nc(sc1)C | 6 |
171 ,
18
