[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate

C263H235F12N39O45S7 — CID 167676487

IUPAC[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate
SMILESCN(C)c1ccc(-c2cc(C(F)(F)F)c(-c3nc4ccc(CC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OC(=O)COCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)nc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2cnc(-c3nc4ccc(OCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.O=C1CCC(N2Cc3cc(OC(=O)COCCOc4ccc5nc(-c6ccc(-c7cccnc7)cc6C(F)(F)F)sc5c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C40H36F3N5O8S.C39H35F3N6O6S.C38H35N5O7S.C37H33F3N6O6S.C37H35N7O5S.C36H27F3N4O7S.C36H34N6O6S/c1-47(2)34-11-4-24(20-44-34)23-3-7-29(30(18-23)40(41,42)43)38-45-31-9-6-27(19-33(31)57-38)56-36(50)22-54-14-13-53-15-16-55-26-5-8-28-25(17-26)21-48(39(28)52)32-10-12-35(49)46-37(32)51;1-47(2)34-9-4-23(19-44-34)31-18-29(39(40,41)42)28(20-43-31)37-45-30-7-3-22(16-33(30)55-37)15-25(49)11-12-53-13-14-54-26-5-6-27-24(17-26)21-48(38(27)52)32-8-10-35(50)46-36(32)51;1-42(2)33-13-7-25(21-39-33)23-3-5-24(6-4-23)37-40-30-11-9-28(20-32(30)51-37)50-35(45)15-16-48-17-18-49-27-8-10-29-26(19-27)22-43(38(29)47)31-12-14-34(44)41-36(31)46;1-45(2)31-10-6-21(18-41-31)22-16-26(37(38,39)40)33(42-19-22)35-43-27-8-7-23(17-30(27)53-35)51-14-12-50-13-15-52-29-5-3-4-24-25(29)20-46(36(24)49)28-9-11-32(47)44-34(28)48;1-43(2)32-15-10-23(20-39-32)22-9-12-29(38-19-22)36-41-28-13-11-24(18-31(28)50-36)49-17-4-3-8-33(45)40-27-7-5-6-25-26(27)21-44(37(25)48)30-14-16-34(46)42-35(30)47;37-36(38,39)27-15-20(21-2-1-11-40-17-21)3-6-26(27)34-41-28-8-5-23(16-30(28)51-34)49-13-12-48-19-32(45)50-24-4-7-25-22(14-24)18-43(35(25)47)29-9-10-31(44)42-33(29)46;1-41(2)32-12-7-22(19-38-32)27-9-6-23(20-37-27)35-39-28-10-8-24(18-31(28)49-35)47-16-14-46-15-17-48-30-5-3-4-25-26(30)21-42(36(25)45)29-11-13-33(43)40-34(29)44/h3-9,11,17-20,32H,10,12-16,21-22H2,1-2H3,(H,46,49,51);3-7,9,16-20,32H,8,10-15,21H2,1-2H3,(H,46,50,51);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,41,44,46);3-8,10,16-19,28H,9,11-15,20H2,1-2H3,(H,44,47,48);5-7,9-13,15,18-20,30H,3-4,8,14,16-17,21H2,1-2H3,(H,40,45)(H,42,46,47);1-8,11,14-17,29H,9-10,12-13,18-19H2,(H,42,44,46);3-10,12,18-20,29H,11,13-17,21H2,1-2H3,(H,40,43,44)
InChIKeyUWTQGRZQVOOTIJ-UHFFFAOYSA-N
MW5114.45 g/mol
LogP38.70
Rot. Bonds84

About [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate

[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate (PubChem CID 167676487) has the molecular formula C263H235F12N39O45S7 and a molecular weight of 5114.45 g/mol. Its IUPAC name is [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate.

Molecular Properties

Compound Name[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate
PubChem CID167676487
Molecular FormulaC263H235F12N39O45S7
Molecular Weight5114.45 g/mol
Exact Mass5110.52
IUPAC Name[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate
SMILESCN(C)c1ccc(-c2cc(C(F)(F)F)c(-c3nc4ccc(CC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OC(=O)COCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)nc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2cnc(-c3nc4ccc(OCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.O=C1CCC(N2Cc3cc(OC(=O)COCCOc4ccc5nc(-c6ccc(-c7cccnc7)cc6C(F)(F)F)sc5c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C40H36F3N5O8S.C39H35F3N6O6S.C38H35N5O7S.C37H33F3N6O6S.C37H35N7O5S.C36H27F3N4O7S.C36H34N6O6S/c1-47(2)34-11-4-24(20-44-34)23-3-7-29(30(18-23)40(41,42)43)38-45-31-9-6-27(19-33(31)57-38)56-36(50)22-54-14-13-53-15-16-55-26-5-8-28-25(17-26)21-48(39(28)52)32-10-12-35(49)46-37(32)51;1-47(2)34-9-4-23(19-44-34)31-18-29(39(40,41)42)28(20-43-31)37-45-30-7-3-22(16-33(30)55-37)15-25(49)11-12-53-13-14-54-26-5-6-27-24(17-26)21-48(38(27)52)32-8-10-35(50)46-36(32)51;1-42(2)33-13-7-25(21-39-33)23-3-5-24(6-4-23)37-40-30-11-9-28(20-32(30)51-37)50-35(45)15-16-48-17-18-49-27-8-10-29-26(19-27)22-43(38(29)47)31-12-14-34(44)41-36(31)46;1-45(2)31-10-6-21(18-41-31)22-16-26(37(38,39)40)33(42-19-22)35-43-27-8-7-23(17-30(27)53-35)51-14-12-50-13-15-52-29-5-3-4-24-25(29)20-46(36(24)49)28-9-11-32(47)44-34(28)48;1-43(2)32-15-10-23(20-39-32)22-9-12-29(38-19-22)36-41-28-13-11-24(18-31(28)50-36)49-17-4-3-8-33(45)40-27-7-5-6-25-26(27)21-44(37(25)48)30-14-16-34(46)42-35(30)47;37-36(38,39)27-15-20(21-2-1-11-40-17-21)3-6-26(27)34-41-28-8-5-23(16-30(28)51-34)49-13-12-48-19-32(45)50-24-4-7-25-22(14-24)18-43(35(25)47)29-9-10-31(44)42-33(29)46;1-41(2)32-12-7-22(19-38-32)27-9-6-23(20-37-27)35-39-28-10-8-24(18-31(28)49-35)47-16-14-46-15-17-48-30-5-3-4-25-26(30)21-42(36(25)45)29-11-13-33(43)40-34(29)44/h3-9,11,17-20,32H,10,12-16,21-22H2,1-2H3,(H,46,49,51);3-7,9,16-20,32H,8,10-15,21H2,1-2H3,(H,46,50,51);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,41,44,46);3-8,10,16-19,28H,9,11-15,20H2,1-2H3,(H,44,47,48);5-7,9-13,15,18-20,30H,3-4,8,14,16-17,21H2,1-2H3,(H,40,45)(H,42,46,47);1-8,11,14-17,29H,9-10,12-13,18-19H2,(H,42,44,46);3-10,12,18-20,29H,11,13-17,21H2,1-2H3,(H,40,43,44)
InChIKeyUWTQGRZQVOOTIJ-UHFFFAOYSA-N
XLogP38.70
TPSA989.57 Ų
H-Bond Donors8
H-Bond Acceptors76
Rotatable Bonds84
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005114.45
LogP ≤ 538.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1076

Analyze [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate with MolForge

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What is the IUPAC name of [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate?
The IUPAC name of [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate (CID 167676487) is [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate.
What is the SMILES notation for [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate?
The canonical SMILES for [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate is CN(C)c1ccc(-c2cc(C(F)(F)F)c(-c3nc4ccc(CC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OC(=O)CCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OC(=O)COCCOCCOc5ccc6c(c5)CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)nc2)cn1.CN(C)c1ccc(-c2ccc(-c3nc4ccc(OCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)cn2)cn1.CN(C)c1ccc(-c2cnc(-c3nc4ccc(OCCOCCOc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4s3)c(C(F)(F)F)c2)cn1.O=C1CCC(N2Cc3cc(OC(=O)COCCOc4ccc5nc(-c6ccc(-c7cccnc7)cc6C(F)(F)F)sc5c4)ccc3C2=O)C(=O)N1.
What is the InChIKey of [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate?
The InChIKey is UWTQGRZQVOOTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36F3N5O8S.C39H35F3N6O6S.C38H35N5O7S.C37H33F3N6O6S.C37H35N7O5S.C36H27F3N4O7S.C36H34N6O6S/c1-47(2)34-11-4-24(20-44-34)23-3-7-29(30(18-23)40(41,42)43)38-45-31-9-6-27(19-33(31)57-38)56-36(50)22-54-14-13-53-15-16-55-26-5-8-28-25(17-26)21-48(39(28)52)32-10-12-35(49)46-37(32)51;1-47(2)34-9-4-23(19-44-34)31-18-29(39(40,41)42)28(20-43-31)37-45-30-7-3-22(16-33(30)55-37)15-25(49)11-12-53-13-14-54-26-5-6-27-24(17-26)21-48(38(27)52)32-8-10-35(50)46-36(32)51;1-42(2)33-13-7-25(21-39-33)23-3-5-24(6-4-23)37-40-30-11-9-28(20-32(30)51-37)50-35(45)15-16-48-17-18-49-27-8-10-29-26(19-27)22-43(38(29)47)31-12-14-34(44)41-36(31)46;1-45(2)31-10-6-21(18-41-31)22-16-26(37(38,39)40)33(42-19-22)35-43-27-8-7-23(17-30(27)53-35)51-14-12-50-13-15-52-29-5-3-4-24-25(29)20-46(36(24)49)28-9-11-32(47)44-34(28)48;1-43(2)32-15-10-23(20-39-32)22-9-12-29(38-19-22)36-41-28-13-11-24(18-31(28)50-36)49-17-4-3-8-33(45)40-27-7-5-6-25-26(27)21-44(37(25)48)30-14-16-34(46)42-35(30)47;37-36(38,39)27-15-20(21-2-1-11-40-17-21)3-6-26(27)34-41-28-8-5-23(16-30(28)51-34)49-13-12-48-19-32(45)50-24-4-7-25-22(14-24)18-43(35(25)47)29-9-10-31(44)42-33(29)46;1-41(2)32-12-7-22(19-38-32)27-9-6-23(20-37-27)35-39-28-10-8-24(18-31(28)49-35)47-16-14-46-15-17-48-30-5-3-4-25-26(30)21-42(36(25)45)29-11-13-33(43)40-34(29)44/h3-9,11,17-20,32H,10,12-16,21-22H2,1-2H3,(H,46,49,51);3-7,9,16-20,32H,8,10-15,21H2,1-2H3,(H,46,50,51);3-11,13,19-21,31H,12,14-18,22H2,1-2H3,(H,41,44,46);3-8,10,16-19,28H,9,11-15,20H2,1-2H3,(H,44,47,48);5-7,9-13,15,18-20,30H,3-4,8,14,16-17,21H2,1-2H3,(H,40,45)(H,42,46,47);1-8,11,14-17,29H,9-10,12-13,18-19H2,(H,42,44,46);3-10,12,18-20,29H,11,13-17,21H2,1-2H3,(H,40,43,44).
What are the key properties of [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate?
[2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate has a molecular weight of 5114.45 g/mol, XLogP of 38.70, 84 rotatable bonds, 8 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[6-(dimethylamino)-3-pyridinyl]phenyl]-1,3-benzothiazol-6-yl] 3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]propanoate;5-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;3-[7-[2-[2-[[2-[6-[6-(dimethylamino)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-[4-[6-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl] 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]acetate;3-[6-[2-[4-[2-[6-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazol-6-yl]-3-oxobutoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[2-[2-[[2-[5-[6-(dimethylamino)-3-pyridinyl]-3-(trifluoromethyl)-2-pyridinyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl] 2-[2-[[2-[4-pyridin-3-yl-2-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]acetate is sourced from PubChem (CID 167676487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).