About butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate
butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate (PubChem CID 160986754) has the molecular formula C147H204F18N36O24S12
and a molecular weight of 3586.24 g/mol. Its IUPAC name is butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate.
Frequently Asked Questions
What is the IUPAC name of butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate (CID 160986754) is butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate is CCCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)(C)C)s3)cc2CCC1CC.CCCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)CC)s3)cc2CCC1CC.CCCCCN1c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nnc(C(=O)OCC(C)C)s3)cc2CCC1CC.CCCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)(C)C)s3)cc2CCC1CC.CCCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OC(C)CC)s3)cc2CCC1CC.CCCCCN1c2cc(NS(=O)(=O)CC(F)(F)F)c(/N=N/c3nnc(C(=O)OCC(C)C)s3)cc2CCC1CC.
What is the InChIKey of butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is TUBRQHFPHXYALK-FXEKUSCPSA-N. The full InChI is InChI=1S/3C25H35F3N6O4S2.3C24H33F3N6O4S2/c1-6-8-9-12-34-17(7-2)11-10-16-13-18(19(14-20(16)34)33-40(36,37)15-25(26,27)28)29-31-23-32-30-21(39-23)22(35)38-24(3,4)5;1-5-7-8-11-34-18(6-2)10-9-17-12-19(20(13-21(17)34)33-40(36,37)15-25(26,27)28)29-31-24-32-30-22(39-24)23(35)38-14-16(3)4;1-5-8-9-12-34-18(7-3)11-10-17-13-19(20(14-21(17)34)33-40(36,37)15-25(26,27)28)29-31-24-32-30-22(39-24)23(35)38-16(4)6-2;1-6-8-9-12-33-16(7-2)11-10-15-13-17(18(14-19(15)33)32-39(35,36)24(25,26)27)28-30-22-31-29-20(38-22)21(34)37-23(3,4)5;1-5-7-8-11-33-17(6-2)10-9-16-12-18(19(13-20(16)33)32-39(35,36)24(25,26)27)28-30-23-31-29-21(38-23)22(34)37-14-15(3)4;1-5-8-9-12-33-17(7-3)11-10-16-13-18(19(14-20(16)33)32-39(35,36)24(25,26)27)28-30-23-31-29-21(38-23)22(34)37-15(4)6-2/h13-14,17,33H,6-12,15H2,1-5H3;12-13,16,18,33H,5-11,14-15H2,1-4H3;13-14,16,18,33H,5-12,15H2,1-4H3;13-14,16,32H,6-12H2,1-5H3;12-13,15,17,32H,5-11,14H2,1-4H3;13-15,17,32H,5-12H2,1-4H3/b3*31-29+;3*30-28+.
What are the key properties of butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate?
butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 3586.24 g/mol, XLogP of 41.19, 71 rotatable bonds, 6 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;butan-2-yl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;tert-butyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(2,2,2-trifluoroethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate;2-methylpropyl 5-[[2-ethyl-1-pentyl-7-(trifluoromethylsulfonylamino)-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 160986754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).