About 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane
6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane (PubChem CID 158970385) has the molecular formula C133H172BrF15N30O17S7
and a molecular weight of 3052.37 g/mol. Its IUPAC name is 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane.
Frequently Asked Questions
What is the IUPAC name of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane?
The IUPAC name of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane (CID 158970385) is 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane.
What is the SMILES notation for 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane?
The canonical SMILES for 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane is C.C.C.C.C.C.CC[C@@H](Nc1nsnc1Nc1ccc(Br)c(C(=O)N(C)C)c1O)c1ccc(C)o1.CC[C@@H](Nc1nsnc1Nc1ccc(C(F)(F)F)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](Nc1nsnc1Nc1ccc(C(F)(F)F)c(C(=O)N(C)C)c1O)c1cc(C)co1.Cc1cc([C@H](Nc2nsnc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)C)oc1C.Cc1ccc([C@H](Nc2nsnc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)o1.Cc1ccc([C@H](Nc2nsnc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)C(C)(C)C)s1.
What is the InChIKey of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane?
The InChIKey is JNSUFLVDXROUGC-LSJLCAKWSA-N. The full InChI is InChI=1S/3C22H26F3N5O3S.C22H26F3N5O2S2.C20H22F3N5O3S.C19H22BrN5O3S.6CH4/c1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;1-10(2)17(15-9-11(3)12(4)33-15)27-20-19(28-34-29-20)26-14-8-7-13(22(23,24)25)16(18(14)31)21(32)30(5)6;1-6-14(16-9-12(10-33-16)11(2)3)26-19-20(29-34-28-19)27-15-8-7-13(22(23,24)25)17(18(15)31)21(32)30(4)5;1-11-7-10-14(33-11)17(21(2,3)4)27-19-18(28-34-29-19)26-13-9-8-12(22(23,24)25)15(16(13)31)20(32)30(5)6;1-5-12(14-8-10(2)9-31-14)24-17-18(27-32-26-17)25-13-7-6-11(20(21,22)23)15(16(13)29)19(30)28(3)4;1-5-12(14-9-6-10(2)28-14)21-17-18(24-29-23-17)22-13-8-7-11(20)15(16(13)26)19(27)25(3)4;;;;;;/h2*7-10,17,31H,1-6H3,(H,26,28)(H,27,29);7-11,14,31H,6H2,1-5H3,(H,26,28)(H,27,29);7-10,17,31H,1-6H3,(H,26,28)(H,27,29);6-9,12,29H,5H2,1-4H3,(H,24,26)(H,25,27);6-9,12,26H,5H2,1-4H3,(H,21,23)(H,22,24);6*1H4/t2*17-;14-;17-;2*12-;;;;;;/m011011....../s1.
What are the key properties of 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane?
6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane has a molecular weight of 3052.37 g/mol, XLogP of 37.71, 41 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzamide;3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylthiophen-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethyl-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-methylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-(trifluoromethyl)benzamide;methane is sourced from PubChem (CID 158970385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).