About (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine
(3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine (PubChem CID 165045938) has the molecular formula C131H162N24O9S10
and a molecular weight of 2537.57 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-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)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine (CID 165045938) is (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-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)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine is C=C(c1ccc2nc(N[C@H]3CC[C@H](Cc4ncc(SC)cn4)C3)sc2c1)N1CC(N2CCOCC2)C1.CC[C@@H]1C[C@@H](NC(=O)c2ccc3nc(C[C@H]4CC[C@H](Cc5ncc(SC)cn5)C4)sc3c2)C[C@@H]1O.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5CCC6(CC5)CNC(=O)CO6)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(C(=O)N5CCCC(N)C5)cc4s3)C2)nc1.CSc1cnc(C[C@H]2CC[C@H](Cc3nc4ccc(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)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine?
The InChIKey is OWWZMWNVHARKRD-VWLCZQKBSA-N. The full InChI is InChI=1S/C28H33N5O3S2.C27H34N6OS2.C27H34N4O2S2.C25H31N5OS2.C24H30N4O2S2/c1-37-21-14-29-24(30-15-21)11-18-2-3-19(10-18)12-26-32-22-5-4-20(13-23(22)38-26)27(35)33-8-6-28(7-9-33)17-31-25(34)16-36-28;1-18(33-16-22(17-33)32-7-9-34-10-8-32)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;1-3-18-11-20(13-23(18)32)30-27(33)19-6-7-22-24(12-19)35-26(31-22)10-17-5-4-16(8-17)9-25-28-14-21(34-2)15-29-25;1-32-20-13-27-23(28-14-20)10-16-4-5-17(9-16)11-24-29-21-7-6-18(12-22(21)33-24)25(31)30-8-2-3-19(26)15-30;1-24(2,3)30-28-23(29)17-7-8-19-20(12-17)32-22(27-19)11-16-6-5-15(9-16)10-21-25-13-18(31-4)14-26-21/h4-5,13-15,18-19H,2-3,6-12,16-17H2,1H3,(H,31,34);4,6,13-15,19,21-22H,1,3,5,7-12,16-17H2,2H3,(H,30,31);6-7,12,14-18,20,23,32H,3-5,8-11,13H2,1-2H3,(H,30,33);6-7,12-14,16-17,19H,2-5,8-11,15,26H2,1H3;7-8,12-16H,5-6,9-11H2,1-4H3,(H,28,29)/t18-,19-;19-,21-;16-,17-,18+,20+,23-;16-,17-,19?;15-,16-/m00000/s1.
What are the key properties of (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine?
(3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine has a molecular weight of 2537.57 g/mol, XLogP of 24.08, 35 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazol-6-yl]methanone;N-[(1R,3R,4S)-3-ethyl-4-hydroxycyclopentyl]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;N-[(2-methylpropan-2-yl)oxy]-2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-1,3-benzothiazole-6-carboxamide;9-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)methyl]cyclopentyl]methyl]-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-morpholin-4-ylazetidin-1-yl)ethenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 165045938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).