IUPAC name
methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate
SMILES
CC(C)Cc1c(c(C(F)F)nc(c1C1=NCCS1)C(F)(F)F)C(=O)OC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
thiazopyr
IUPAC name
methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate
SMILES
CC(C)Cc1c(c(C(F)F)nc(c1C1=NCCS1)C(F)(F)F)C(=O)OC
INCHI
InChI=1S/C16H17F5N2O2S/c1-7(2)6-8-9(15(24)25-3)11(13(17)18)23-12(16(19,20)21)10(8)14-22-4-5-26-14/h7,13H,4-6H2,1-3H3
FORMULA
C16H17F5N2O2S
Common name
thiazopyr
IUPAC name
methyl 2-(difluoromethyl)-5-(4,5-dihydro-2-thiazolyl)-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylate
Molecular weight
396.375
clogP
6.282
clogS
-5.722
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
76.85
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00636 | thiazole |
|
s1cncc1 | 0.0055 |
| FDBF03898 | methyl pyridine-3-carboxylate |
|
O(C(=O)c1cnccc1)C | 0.0010 |
| FDBF06587 | methyl 4-methylpyridine-3-carboxylate |
|
c1(ccncc1C(=O)OC)C | 0.0003 |
| FDBF06588 | methyl 2-(difluoromethyl)pyridine-3-carboxylate |
|
c1ccnc(c1C(=O)OC)C(F)F | 0.0003 |
| FDBF06589 | methyl 6-(trifluoromethyl)pyridine-3-carboxylate |
|
C(F)(F)(F)c1ccc(cn1)C(=O)OC | 0.0003 |
| FDBF06590 | methyl 2-(difluoromethyl)-4-methylpyridine-3-carboxylate |
|
c1(ccnc(c1C(=O)OC)C(F)F)C | 0.0003 |
| FDBF06591 | methyl 4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate |
|
C(F)(F)(F)c1cc(c(cn1)C(=O)OC)C | 0.0003 |
11 ,
2
