About (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine
(3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine (PubChem CID 159126671) has the molecular formula C107H156F2N12O22S6
and a molecular weight of 2192.88 g/mol. Its IUPAC name is (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine.
Frequently Asked Questions
What is the IUPAC name of (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine?
The IUPAC name of (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine (CID 159126671) is (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine.
What is the SMILES notation for (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine?
The canonical SMILES for (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine is CN(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(C)(C)F)O[C@@H]2S1.COc1ccc(CO[C@H]2[C@H](C)[C@@H](C(C)(C)F)O[C@@H]3SC(N(C)C)=N[C@H]23)cc1.COc1ccc(CO[C@H]2[C@H](C)[C@@H](C(C)(C)O)O[C@@H]3SC(N(C)C)=N[C@H]23)cc1.COc1ccc(CO[C@H]2[C@H](C)[C@@H](C(C)=O)O[C@@H]3SC(N(C)C)=N[C@H]23)cc1.COc1ccc(CO[C@H]2[C@H](C)[C@@H](C(C)O)O[C@@H]3SC(N(C)C)=N[C@H]23)cc1.COc1ccc(CO[C@H]2[C@H](C)[C@@H](C=O)O[C@@H]3SC(N(C)C)=N[C@H]23)cc1.
What is the InChIKey of (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine?
The InChIKey is KGJDLIZYSYVVFB-OXSSGXSNSA-N. The full InChI is InChI=1S/C20H29FN2O3S.C20H30N2O4S.C19H28N2O4S.C19H26N2O4S.C18H24N2O4S.C11H19FN2O3S/c1-12-16(25-11-13-7-9-14(24-6)10-8-13)15-18(26-17(12)20(2,3)21)27-19(22-15)23(4)5;1-12-16(25-11-13-7-9-14(24-6)10-8-13)15-18(26-17(12)20(2,3)23)27-19(21-15)22(4)5;2*1-11-16(12(2)22)25-18-15(20-19(26-18)21(3)4)17(11)24-10-13-6-8-14(23-5)9-7-13;1-11-14(9-21)24-17-15(19-18(25-17)20(2)3)16(11)23-10-12-5-7-13(22-4)8-6-12;1-11(2,12)8-7(16)6(15)5-9(17-8)18-10(13-5)14(3)4/h7-10,12,15-18H,11H2,1-6H3;7-10,12,15-18,23H,11H2,1-6H3;6-9,11-12,15-18,22H,10H2,1-5H3;6-9,11,15-18H,10H2,1-5H3;5-9,11,14-17H,10H2,1-4H3;5-9,15-16H,1-4H3/t2*12-,15+,16-,17-,18+;11-,12?,15-,16+,17+,18-;11-,15-,16+,17+,18-;11-,14-,15-,16+,17-;5-,6-,7+,8+,9-/m001111/s1.
What are the key properties of (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine?
(3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine has a molecular weight of 2192.88 g/mol, XLogP of 13.77, 26 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,6S,7R,7aR)-2-(dimethylamino)-5-(2-fluoropropan-2-yl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol;(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-5-carbaldehyde;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanol;1-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]ethanone;2-[(3aR,5S,6S,7S,7aR)-2-(dimethylamino)-7-[(4-methoxyphenyl)methoxy]-6-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-5-yl]propan-2-ol;(3aR,5S,6S,7S,7aR)-5-(2-fluoropropan-2-yl)-7-[(4-methoxyphenyl)methoxy]-N,N,6-trimethyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-2-amine is sourced from PubChem (CID 159126671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).