About N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 160551591) has the molecular formula C98H103Cl2F21N28O13S7
and a molecular weight of 2575.42 g/mol. Its IUPAC name is N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
Frequently Asked Questions
What is the IUPAC name of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 160551591) is N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is C/C=C(\Nc1ccc(F)c([C@]2(C)CS(=O)(=O)N(C)C(N)=N2)c1)C(F)(F)F.CN1C(N)=N[C@](C)(c2cc(NC(c3ccc(C(F)(F)F)cn3)C(F)(F)F)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(c3ccc(F)cn3)C(F)(F)F)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc(NC(c3cccs3)C(F)(F)F)ccc2F)CS1(=O)=O.CN1C(N)=N[C@](C)(c2cc3c(cc2F)C=NC3)CS1(=O)=O.CN1C(N)=N[C@](C)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2Cl)CS1(=O)=O.
What is the InChIKey of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is QYDKYUMJIBCWRT-NAWCKFLDSA-N. The full InChI is InChI=1S/C19H18F7N5O2S.C18H18F5N5O2S.C17H18F4N4O2S2.C16H16Cl2N6O3S.C15H18F4N4O2S.C13H15FN4O2S/c1-17(9-34(32,33)31(2)16(27)30-17)12-7-11(4-5-13(12)20)29-15(19(24,25)26)14-6-3-10(8-28-14)18(21,22)23;1-17(9-31(29,30)28(2)16(24)27-17)12-7-11(4-5-13(12)20)26-15(18(21,22)23)14-6-3-10(19)8-25-14;1-16(9-29(26,27)25(2)15(22)24-16)11-8-10(5-6-12(11)18)23-14(17(19,20)21)13-4-3-7-28-13;1-16(8-28(26,27)24(2)15(19)23-16)13-10(18)4-6-12(21-13)22-14(25)11-5-3-9(17)7-20-11;1-4-12(15(17,18)19)21-9-5-6-11(16)10(7-9)14(2)8-26(24,25)23(3)13(20)22-14;1-13(7-21(19,20)18(2)12(15)17-13)10-3-8-5-16-6-9(8)4-11(10)14/h3-8,15,29H,9H2,1-2H3,(H2,27,30);3-8,15,26H,9H2,1-2H3,(H2,24,27);3-8,14,23H,9H2,1-2H3,(H2,22,24);3-7H,8H2,1-2H3,(H2,19,23)(H,21,22,25);4-7,21H,8H2,1-3H3,(H2,20,22);3-4,6H,5,7H2,1-2H3,(H2,15,17)/b;;;;12-4-;/t2*15?,17-;14?,16-;16-;14-;13-/m000000/s1.
What are the key properties of N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 2575.42 g/mol, XLogP of 14.96, 19 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-2-pyridinyl]-5-chloropyridine-2-carboxamide;(5R)-5-(6-fluoro-3H-isoindol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[(Z)-1,1,1-trifluorobut-2-en-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-(5-fluoro-2-pyridinyl)ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[(2,2,2-trifluoro-1-thiophen-2-ylethyl)amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-fluoro-5-[[2,2,2-trifluoro-1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 160551591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).