magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide

C131H157Br3MgN18O23S8Si — CID 172958584

About magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide

magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide (PubChem CID 172958584) has the molecular formula C131H157Br3MgN18O23S8Si and a molecular weight of 2900.44 g/mol. Its IUPAC name is magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide.

Molecular Properties

• Compound Name: magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide
• PubChem CID: 172958584
• Molecular Formula: C131H157Br3MgN18O23S8Si
• Molecular Weight: 2900.44 g/mol
• Exact Mass: 2894.66
• IUPAC Name: magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide
• SMILES: CC(C)(C)[Si](C)(C)O/N=C1\CCc2cc(Br)ccc21.CCCC(=O)c1sc2cnccc2c1N.CCCC(=O)c1sc2cnccc2c1NC(=O)OC(C)(C)C.CCCC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CCC2=CO.CCOC(=O)CS.CCOC(=O)CSc1cnccc1C#N.CCOC(=O)c1sc2cnccc2c1N.CCOC(=O)c1sc2cnccc2c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CON(C)C(=O)c1sc2cnccc2c1NC(=O)OC(C)(C)C.N#Cc1ccncc1Br.[Br-].[CH2-]CC.[Mg+2]
• InChI: InChI=1S/C21H20N2O2S.C20H26N2O6S.C16H20N2O3S.C15H22BrNOSi.C15H19N3O4S.C11H12N2OS.2C10H10N2O2S.C6H3BrN2.C4H8O2S.C3H7.BrH.Mg/c1-2-3-18(25)21-20(17-8-9-22-11-19(17)26-21)23-15-6-7-16-13(10-15)4-5-14(16)12-24;1-8-26-16(23)15-14(12-9-10-21-11-13(12)29-15)22(17(24)27-19(2,3)4)18(25)28-20(5,6)7;1-5-6-11(19)14-13(18-15(20)21-16(2,3)4)10-7-8-17-9-12(10)22-14;1-15(2,3)19(4,5)18-17-14-9-6-11-10-12(16)7-8-13(11)14;1-15(2,3)22-14(20)17-11-9-6-7-16-8-10(9)23-12(11)13(19)18(4)21-5;1-2-3-8(14)11-10(12)7-4-5-13-6-9(7)15-11;1-2-14-10(13)9-8(11)6-3-4-12-5-7(6)15-9;1-2-14-10(13)7-15-9-6-12-4-3-8(9)5-11;7-6-4-9-2-1-5(6)3-8;1-2-6-4(5)3-7;1-3-2;;/h6-12,23-24H,2-5H2,1H3;9-11H,8H2,1-7H3;7-9H,5-6H2,1-4H3,(H,18,20);7-8,10H,6,9H2,1-5H3;6-8H,1-5H3,(H,17,20);4-6H,2-3,12H2,1H3;3-5H,2,11H2,1H3;3-4,6H,2,7H2,1H3;1-2,4H;7H,2-3H2,1H3;1,3H2,2H3;1H;/q;;;;;;;;;;-1;;+2/p-1/b;;;17-14+
• InChIKey: DNBOJCCAZHWEKJ-GXHBAXFKSA-M
• XLogP: 30.62
• TPSA: 575.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 28
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2900.44
LogP ≤ 5	30.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide?

The IUPAC name of magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide (CID 172958584) is magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide.

What is the SMILES notation for magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide?

The canonical SMILES for magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide is CC(C)(C)[Si](C)(C)O/N=C1\CCc2cc(Br)ccc21.CCCC(=O)c1sc2cnccc2c1N.CCCC(=O)c1sc2cnccc2c1NC(=O)OC(C)(C)C.CCCC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CCC2=CO.CCOC(=O)CS.CCOC(=O)CSc1cnccc1C#N.CCOC(=O)c1sc2cnccc2c1N.CCOC(=O)c1sc2cnccc2c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.CON(C)C(=O)c1sc2cnccc2c1NC(=O)OC(C)(C)C.N#Cc1ccncc1Br.[Br-].[CH2-]CC.[Mg+2].

What is the InChIKey of magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide?

The InChIKey is DNBOJCCAZHWEKJ-GXHBAXFKSA-M. The full InChI is InChI=1S/C21H20N2O2S.C20H26N2O6S.C16H20N2O3S.C15H22BrNOSi.C15H19N3O4S.C11H12N2OS.2C10H10N2O2S.C6H3BrN2.C4H8O2S.C3H7.BrH.Mg/c1-2-3-18(25)21-20(17-8-9-22-11-19(17)26-21)23-15-6-7-16-13(10-15)4-5-14(16)12-24;1-8-26-16(23)15-14(12-9-10-21-11-13(12)29-15)22(17(24)27-19(2,3)4)18(25)28-20(5,6)7;1-5-6-11(19)14-13(18-15(20)21-16(2,3)4)10-7-8-17-9-12(10)22-14;1-15(2,3)19(4,5)18-17-14-9-6-11-10-12(16)7-8-13(11)14;1-15(2,3)22-14(20)17-11-9-6-7-16-8-10(9)23-12(11)13(19)18(4)21-5;1-2-3-8(14)11-10(12)7-4-5-13-6-9(7)15-11;1-2-14-10(13)9-8(11)6-3-4-12-5-7(6)15-9;1-2-14-10(13)7-15-9-6-12-4-3-8(9)5-11;7-6-4-9-2-1-5(6)3-8;1-2-6-4(5)3-7;1-3-2;;/h6-12,23-24H,2-5H2,1H3;9-11H,8H2,1-7H3;7-9H,5-6H2,1-4H3,(H,18,20);7-8,10H,6,9H2,1-5H3;6-8H,1-5H3,(H,17,20);4-6H,2-3,12H2,1H3;3-5H,2,11H2,1H3;3-4,6H,2,7H2,1H3;1-2,4H;7H,2-3H2,1H3;1,3H2,2H3;1H;/q;;;;;;;;;;-1;;+2/p-1/b;;;17-14+;;;;;;;;;.

What are the key properties of magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide?

magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide has a molecular weight of 2900.44 g/mol, XLogP of 30.62, 28 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1-(3-aminothieno[2,3-c]pyridin-2-yl)butan-1-one;(E)-5-bromo-N-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-imine;3-bromopyridine-4-carbonitrile;tert-butyl N-(2-butanoylthieno[2,3-c]pyridin-3-yl)carbamate;tert-butyl N-[2-[methoxy(methyl)carbamoyl]thieno[2,3-c]pyridin-3-yl]carbamate;ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate;ethyl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]thieno[2,3-c]pyridine-2-carboxylate;ethyl 2-[(4-cyano-3-pyridinyl)sulfanyl]acetate;ethyl 2-sulfanylacetate;1-[3-[[1-(hydroxymethylidene)-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridin-2-yl]butan-1-one;propane;bromide is sourced from PubChem (CID 172958584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).