Common name
2-ethyl-4H-1,2-thiazol-3-one
IUPAC name
2-ethyl-4H-1,2-thiazol-3-one
SMILES
CCN1SC=CC1=O
Common name
2-ethyl-4H-1,2-thiazol-3-one
IUPAC name
2-ethyl-4H-1,2-thiazol-3-one
SMILES
CCN1SC=CC1=O
INCHI
InChI=1S/C5H9NOS/c1-2-6-5(7)3-4-8-6/h4,6H,2-3H2,1H3/q+1
FORMULA
C5H9NOS
Common name
2-ethyl-4H-1,2-thiazol-3-one
IUPAC name
2-ethyl-4H-1,2-thiazol-3-one
Molecular weight
130.188
clogP
-0.452
clogS
-0.567
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03226 | octhilinone |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2zu5_ligand_5_4289.mol2 | 2zu5 | 0.295082 | -5.56 | C=CCNC(=O)CC | 8 |
| 2zu5_ligand_6_10567.mol2 | 2zu5 | 0.290323 | -5.96 | C=C[C@@H](NC(=O)CC)C | 9 |
| 1kvo_ligand_5_1011.mol2 | 1kvo | 0.285714 | -6.79 | CCC(=O)NC(C)C | 8 |
| 1j1a_ligand_5_2569.mol2 | 1j1a | 0.285714 | -6.74 | CC(C)NC(=O)CC | 8 |
| 4jt8_ligand_3_0.mol2 | 4jt8 | 0.285714 | -6.72 | C(C)NC(=O)C(C)(C)C | 9 |
| 3dv1_ligand_4_30.mol2 | 3dv1 | 0.285714 | -6.58 | CCNC(=O)C(C)C | 8 |
| 3duy_ligand_4_3045.mol2 | 3duy | 0.285714 | -6.54 | C(=O)(NCC)C(C)C | 8 |
673 ,
68
