About 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide
2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide (PubChem CID 172954009) has the molecular formula C123H176N18O26S6
and a molecular weight of 2515.26 g/mol. Its IUPAC name is 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide (CID 172954009) is 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide is C=CCO/N=C(\C)C1=NC(C)(C(=O)N[C@H](CCC)c2cc(OC)cc(=O)o2)CS1.C=Cc1cc([C@@H](CCC)NC(=O)C2(C)CSC(/C(C)=N/C)=N2)oc(=O)c1.CCCCCCCOc1cc([C@@H](CCC)NC(=O)C2(C)CSC(/C(C)=N/C)=N2)oc(=O)c1.CCCCCCCOc1cc([C@@H](CCC)NC(=O)C2(C)CSC(/C(C)=N\O)=N2)oc(=O)c1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N/C)=N1)c1cc(OCC)cc(=O)o1.CCC[C@@H](NC(=O)C1(C)CSC(/C(C)=N\O)=N1)c1cc(OCC)cc(=O)o1.
What is the InChIKey of 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide?
The InChIKey is XEVWPFWJCCCYOZ-HTAFCZBMSA-N. The full InChI is InChI=1S/C24H37N3O4S.C23H35N3O5S.C20H27N3O5S.C19H27N3O4S.C19H25N3O3S.C18H25N3O5S/c1-6-8-9-10-11-13-30-18-14-20(31-21(28)15-18)19(12-7-2)26-23(29)24(4)16-32-22(27-24)17(3)25-5;1-5-7-8-9-10-12-30-17-13-19(31-20(27)14-17)18(11-6-2)24-22(28)23(4)15-32-21(25-23)16(3)26-29;1-6-8-15(16-10-14(26-5)11-17(24)28-16)21-19(25)20(4)12-29-18(22-20)13(3)23-27-9-7-2;1-6-8-14(15-9-13(25-7-2)10-16(23)26-15)21-18(24)19(4)11-27-17(22-19)12(3)20-5;1-6-8-14(15-9-13(7-2)10-16(23)25-15)21-18(24)19(4)11-26-17(22-19)12(3)20-5;1-5-7-13(14-8-12(25-6-2)9-15(22)26-14)19-17(23)18(4)10-27-16(20-18)11(3)21-24/h14-15,19H,6-13,16H2,1-5H3,(H,26,29);13-14,18,29H,5-12,15H2,1-4H3,(H,24,28);7,10-11,15H,2,6,8-9,12H2,1,3-5H3,(H,21,25);9-10,14H,6-8,11H2,1-5H3,(H,21,24);7,9-10,14H,2,6,8,11H2,1,3-5H3,(H,21,24);8-9,13,24H,5-7,10H2,1-4H3,(H,19,23)/b25-17+;26-16-;23-13+;2*20-12+;21-11-/t19-,24?;18-,23?;15-,20?;2*14-,19?;13-,18?/m111111/s1.
What are the key properties of 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide?
2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide has a molecular weight of 2515.26 g/mol, XLogP of 21.71, 59 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethenyl-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;2-(C,N-dimethylcarbonimidoyl)-N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-ethoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-heptoxy-6-oxopyran-2-yl)butyl]-2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-5H-1,3-thiazole-4-carboxamide;N-[(1R)-1-(4-methoxy-6-oxopyran-2-yl)butyl]-4-methyl-2-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-5H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 172954009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).