Common name
1,2,4-thiadiazole
IUPAC name
1,2,4-thiadiazole
SMILES
s1ncnc1
Common name
1,2,4-thiadiazole
IUPAC name
1,2,4-thiadiazole
SMILES
s1ncnc1
INCHI
InChI=1S/C2H2N2S/c1-3-2-5-4-1/h1-2H
FORMULA
C2H2N2S
Common name
1,2,4-thiadiazole
IUPAC name
1,2,4-thiadiazole
Molecular weight
86.116
clogP
2.330
clogS
-0.513
Frequency
0.0007
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
54.02
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01420 | Ceftaroline fosamil |
|
Cephalosporins; Antibiotics; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; | Ceftaroline fosamil is indicated for the treatment of patients with the following infections caused by susceptible isolates of the designated microorganisms. |
| FDBD03223 | etridiazole |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hbp_ligand_frag_1.mol2 | 4hbp | 1 | -5.31 | c1sncn1 | 5 |
| 3myg_ligand_frag_2.mol2 | 3myg | 0.25 | -5.45 | s1nccc1 | 5 |
| 4y8z_ligand_frag_4.mol2 | 4y8z | 0.235294 | -5.37 | c1[nH+]c(c[nH]1)Cl | 6 |
| 4y8x_ligand_frag_5.mol2 | 4y8x | 0.235294 | -5.36 | Clc1[nH+]c[nH]c1 | 6 |
| 4y8y_ligand_frag_5.mol2 | 4y8y | 0.235294 | -5.36 | c1[nH+]c(c[nH]1)Cl | 6 |
| 4x6n_ligand_frag_0.mol2 | 4x6n | 0.235294 | -5.35 | [nH+]1cc([nH]c1)Cl | 6 |
| 4x6o_ligand_frag_8.mol2 | 4x6o | 0.235294 | -5.35 | c1[nH+]cc(Cl)[nH]1 | 6 |
| 4ty7_ligand_frag_0.mol2 | 4ty7 | 0.235294 | -5.34 | c1c([nH+]c[nH]1)Cl | 6 |
120 ,
13
