About (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide
(2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide (PubChem CID 172952677) has the molecular formula C146H189FN34O35S13
and a molecular weight of 3416.19 g/mol. Its IUPAC name is (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide.
Frequently Asked Questions
What is the IUPAC name of (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide?
The IUPAC name of (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide (CID 172952677) is (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide?
The canonical SMILES for (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide is CN1CCN(Cc2cnc(NC(=O)/C(=N/N3CCOCC3)c3ccc(S(=O)(=O)[C@H]4CCOC4)cc3)s2)CC1.CN1CCN(S(=O)(=O)c2cnc(NC(=O)/C(=N/N3CCOCC3)c3ccc(S(=O)(=O)[C@H]4CCOC4)cc3)s2)CC1.COCCCS(=O)(=O)c1ccc(/C(=N\N2CCOCC2)C(=O)Nc2nc3ccc(NCCN(C)C)nc3s2)cc1.COCCCS(=O)(=O)c1ccc(/C(=N\N2CCOCC2)C(=O)Nc2nc3ccc(OCC(C)(C)N(C)C)nc3s2)cc1.COCCCS(=O)(=O)c1ccc(/C(=N\N2CCOCC2)C(=O)Nc2nc3ccc(OCCO)nc3s2)cc1.O=C(Nc1ncc(F)s1)/C(=N/N1CCOCC1)c1ccc(S(=O)(=O)[C@H]2CCOC2)cc1.
What is the InChIKey of (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide?
The InChIKey is WQIFNCVNIDYTBX-YEDKEJIMSA-N. The full InChI is InChI=1S/C28H38N6O6S2.C26H35N7O5S2.C25H34N6O5S2.C24H32N6O7S3.C24H29N5O7S2.C19H21FN4O5S2/c1-28(2,33(3)4)19-40-23-12-11-22-26(30-23)41-27(29-22)31-25(35)24(32-34-13-16-39-17-14-34)20-7-9-21(10-8-20)42(36,37)18-6-15-38-5;1-32(2)12-11-27-22-10-9-21-25(29-22)39-26(28-21)30-24(34)23(31-33-13-16-38-17-14-33)19-5-7-20(8-6-19)40(35,36)18-4-15-37-3;1-29-7-9-30(10-8-29)17-20-16-26-25(37-20)27-24(32)23(28-31-11-14-35-15-12-31)19-2-4-21(5-3-19)38(33,34)22-6-13-36-18-22;1-28-7-9-30(10-8-28)40(34,35)21-16-25-24(38-21)26-23(31)22(27-29-11-14-36-15-12-29)18-2-4-19(5-3-18)39(32,33)20-6-13-37-17-20;1-34-12-2-16-38(32,33)18-5-3-17(4-6-18)21(28-29-9-13-35-14-10-29)22(31)27-24-25-19-7-8-20(36-15-11-30)26-23(19)37-24;20-16-11-21-19(30-16)22-18(25)17(23-24-6-9-28-10-7-24)13-1-3-14(4-2-13)31(26,27)15-5-8-29-12-15/h7-12H,6,13-19H2,1-5H3,(H,29,31,35);5-10H,4,11-18H2,1-3H3,(H,27,29)(H,28,30,34);2-5,16,22H,6-15,17-18H2,1H3,(H,26,27,32);2-5,16,20H,6-15,17H2,1H3,(H,25,26,31);3-8,30H,2,9-16H2,1H3,(H,25,27,31);1-4,11,15H,5-10,12H2,(H,21,22,25)/b32-24+;31-23+;28-23+;27-22+;28-21+;23-17+/t;;22-;20-;;15-/m..00.0/s1.
What are the key properties of (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide?
(2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide has a molecular weight of 3416.19 g/mol, XLogP of 9.56, 60 rotatable bonds, 8 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[5-[2-(dimethylamino)ethylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[2-(dimethylamino)-2-methylpropoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-(5-fluoro-1,3-thiazol-2-yl)-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(2-hydroxyethoxy)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-[4-(3-methoxypropylsulfonyl)phenyl]-2-morpholin-4-yliminoacetamide;(2E)-N-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide;(2E)-N-[5-(4-methylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]-2-morpholin-4-ylimino-2-[4-[(3S)-oxolan-3-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 172952677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).