About 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (PubChem CID 158786306) has the molecular formula C205H201F4N45O10S7
and a molecular weight of 3755.63 g/mol. Its IUPAC name is 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.
Frequently Asked Questions
What is the IUPAC name of 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide (CID 158786306) is 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is COCCC[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)cn4)c3)sc2C1.COCCN(C)[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(C#N)cc5)cn4)c3)sc2C1.Cc1cc(-c2ccc(C#N)cc2)nc(Cc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)n1.N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCC(F)(F)CC4)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCC(F)CC4)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)CC(N4CCC(F)CC4)CC5)c3)nn2)cc1.N#Cc1ccc(-c2cn(Cc3cccc(C(=O)Nc4nc5c(s4)C[C@@H](N4CCCCC4)CC5)c3)nn2)cc1.
What is the InChIKey of 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is IRSNVMPUNPUEIW-RGWXYLFJSA-N. The full InChI is InChI=1S/C31H30N6O2S.C29H27F2N7OS.2C29H28FN7OS.C29H29N7OS.C29H30N6O2S.C29H29N5O2S/c1-20-15-27(23-7-5-21(19-32)6-8-23)34-29(33-20)17-22-3-2-4-24(16-22)30(38)36-31-35-26-10-9-25(18-28(26)40-31)37-11-13-39-14-12-37;30-29(31)10-12-37(13-11-29)23-8-9-24-26(15-23)40-28(33-24)34-27(39)22-3-1-2-20(14-22)17-38-18-25(35-36-38)21-6-4-19(16-32)5-7-21;2*30-23-10-12-36(13-11-23)24-8-9-25-27(15-24)39-29(32-25)33-28(38)22-3-1-2-20(14-22)17-37-18-26(34-35-37)21-6-4-19(16-31)5-7-21;30-17-20-7-9-22(10-8-20)26-19-36(34-33-26)18-21-5-4-6-23(15-21)28(37)32-29-31-25-12-11-24(16-27(25)38-29)35-13-2-1-3-14-35;1-34(12-13-37-2)25-10-11-26-27(15-25)38-29(32-26)33-28(36)23-5-3-4-21(14-23)18-35-19-24(17-31-35)22-8-6-20(16-30)7-9-22;1-36-13-3-5-20-9-12-26-27(15-20)37-29(32-26)33-28(35)24-6-2-4-22(14-24)18-34-19-25(17-31-34)23-10-7-21(16-30)8-11-23/h2-8,15-16,25H,9-14,17-18H2,1H3,(H,35,36,38);1-7,14,18,23H,8-13,15,17H2,(H,33,34,39);2*1-7,14,18,23-24H,8-13,15,17H2,(H,32,33,38);4-10,15,19,24H,1-3,11-14,16,18H2,(H,31,32,37);3-9,14,17,19,25H,10-13,15,18H2,1-2H3,(H,32,33,36);2,4,6-8,10-11,14,17,19-20H,3,5,9,12-13,15,18H2,1H3,(H,32,33,35)/t25-;;;;24-;25-;20-/m0...000/s1.
What are the key properties of 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide?
3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 3755.63 g/mol, XLogP of 34.95, 48 rotatable bonds, 7 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-cyanophenyl)-6-methylpyrimidin-2-yl]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6S)-6-[2-methoxyethyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)pyrazol-1-yl]methyl]-N-[(6R)-6-(3-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;bis(3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide);3-[[4-(4-cyanophenyl)triazol-1-yl]methyl]-N-[(6S)-6-piperidin-1-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 158786306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).