Common name
[methyl(pyridin-2-yl)amino]methanethiol
IUPAC name
[methyl(pyridin-2-yl)amino]methanethiol
SMILES
c1(ncccc1)N(CS)C
Common name
[methyl(pyridin-2-yl)amino]methanethiol
IUPAC name
[methyl(pyridin-2-yl)amino]methanethiol
SMILES
c1(ncccc1)N(CS)C
INCHI
InChI=1S/C7H10N2S/c1-9(6-10)7-4-2-3-5-8-7/h2-5,10H,6H2,1H3
FORMULA
C7H10N2S
Common name
[methyl(pyridin-2-yl)amino]methanethiol
IUPAC name
[methyl(pyridin-2-yl)amino]methanethiol
Molecular weight
154.233
clogP
1.034
clogS
-1.642
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
54.93
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02709 | pyributicarb |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p2i_ligand_2_18.mol2 | 2p2i | 0.756098 | -6.52 | N(c1ccccn1)C | 8 |
| 4hvs_ligand_2_9.mol2 | 4hvs | 0.756098 | -6.48 | CNc1ncccc1 | 8 |
| 4nbl_ligand_2_4.mol2 | 4nbl | 0.756098 | -6.48 | c1ccnc(c1)NC | 8 |
| 4hw7_ligand_2_15.mol2 | 4hw7 | 0.756098 | -6.43 | c1cnc(cc1)NC | 8 |
| 2i19_ligand_2_0.mol2 | 2i19 | 0.756098 | -6.18 | N(c1ccccn1)C | 8 |
| 4h5d_ligand_2_11.mol2 | 4h5d | 0.756098 | -6.16 | N(C)c1ccccn1 | 8 |
| 4dem_ligand_2_11.mol2 | 4dem | 0.756098 | -6.10 | c1(ccccn1)NC | 8 |
| 4h5c_ligand_2_11.mol2 | 4h5c | 0.756098 | -6.09 | CNc1ccccn1 | 8 |
| 2pks_ligand_2_7.mol2 | 2pks | 0.756098 | -5.99 | c1ccnc(c1)NC | 8 |
| 2oah_ligand_2_9.mol2 | 2oah | 0.756098 | -5.88 | N(C)c1ccccn1 | 8 |
154 ,
16
