About (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine
(3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine (PubChem CID 157153719) has the molecular formula C123H154N32O9S10
and a molecular weight of 2545.47 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine.
Frequently Asked Questions
What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine (CID 157153719) is (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine is C=C(c1ccc2nc(N[C@H]3CC[C@H](Cc4ncc(SC)cn4)C3)sc2c1)N1CN(C2CCOCC2)C1.CC[C@@H]1C[C@@H](NC(=O)c2ccc3nc(N[C@H]4CC[C@H](Nc5ncc(SC)cn5)C4)sc3c2)C[C@@H]1O.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCC6(CC5)CNC(=O)CO6)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCCC(N)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)NOC(C)(C)C)cc4s3)C2)nc1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine?
The InChIKey is ALOFEGYSTIAOMX-POQHGIMXSA-N. The full InChI is InChI=1S/C27H34N6OS2.C26H31N7O3S2.C25H32N6O2S2.C23H29N7OS2.C22H28N6O2S2/c1-18(32-16-33(17-32)22-7-9-34-10-8-22)20-4-6-24-25(13-20)36-27(31-24)30-21-5-3-19(11-21)12-26-28-14-23(35-2)15-29-26;1-37-19-12-27-24(28-13-19)30-17-3-4-18(11-17)31-25-32-20-5-2-16(10-21(20)38-25)23(35)33-8-6-26(7-9-33)15-29-22(34)14-36-26;1-3-14-8-18(11-21(14)32)28-23(33)15-4-7-20-22(9-15)35-25(31-20)30-17-6-5-16(10-17)29-24-26-12-19(34-2)13-27-24;1-32-18-11-25-22(26-12-18)27-16-5-6-17(10-16)28-23-29-19-7-4-14(9-20(19)33-23)21(31)30-8-2-3-15(24)13-30;1-22(2,3)30-28-19(29)13-5-8-17-18(9-13)32-21(27-17)26-15-7-6-14(10-15)25-20-23-11-16(31-4)12-24-20/h4,6,13-15,19,21-22H,1,3,5,7-12,16-17H2,2H3,(H,30,31);2,5,10,12-13,17-18H,3-4,6-9,11,14-15H2,1H3,(H,29,34)(H,31,32)(H,27,28,30);4,7,9,12-14,16-18,21,32H,3,5-6,8,10-11H2,1-2H3,(H,28,33)(H,30,31)(H,26,27,29);4,7,9,11-12,15-17H,2-3,5-6,8,10,13,24H2,1H3,(H,28,29)(H,25,26,27);5,8-9,11-12,14-15H,6-7,10H2,1-4H3,(H,26,27)(H,28,29)(H,23,24,25)/t19-,21-;17-,18-;14-,16+,17+,18-,21+;15?,16-,17-;14-,15-/m00100/s1.
What are the key properties of (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine?
(3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine has a molecular weight of 2545.47 g/mol, XLogP of 21.75, 35 rotatable bonds, 14 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;N-[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]-6-[1-[3-(oxan-4-yl)-1,3-diazetidin-1-yl]ethenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 157153719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).