dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde

C89H113Cl2MnN9O21S6Si3 — CID 159541023

About dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde

dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde (PubChem CID 159541023) has the molecular formula C89H113Cl2MnN9O21S6Si3 and a molecular weight of 2047.43 g/mol. Its IUPAC name is dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde.

Molecular Properties

• Compound Name: dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde
• PubChem CID: 159541023
• Molecular Formula: C89H113Cl2MnN9O21S6Si3
• Molecular Weight: 2047.43 g/mol
• Exact Mass: 2044.44
• IUPAC Name: dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde
• SMILES: CCO.CCOC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C.CCOC(=O)c1nc(C(=O)c2cn(COCC[Si](C)(C)C)c3ccccc23)sc1C.CCOC(=O)c1nc(C(O)c2cn(COCC[Si](C)(C)C)c3ccccc23)sc1C.CCOC(=O)c1ncsc1C.C[Si](C)(C)CCOCn1cc(C=O)c2ccccc21.Cc1scnc1C(=O)O.O=S(Cl)Cl.O=[Mn]=O
• InChI: InChI=1S/C22H30N2O4SSi.C22H28N2O4SSi.C16H14N2O3S.C15H21NO2Si.C7H9NO2S.C5H5NO2S.C2H6O.Cl2OS.Mn.2O/c2*1-6-28-22(26)19-15(2)29-21(23-19)20(25)17-13-24(14-27-11-12-30(3,4)5)18-10-8-7-9-16(17)18;1-3-21-16(20)13-9(2)22-15(18-13)14(19)11-8-17-12-7-5-4-6-10(11)12;1-19(2,3)9-8-18-12-16-10-13(11-17)14-6-4-5-7-15(14)16;1-3-10-7(9)6-5(2)11-4-8-6;1-3-4(5(7)8)6-2-9-3;1-2-3;1-4(2)3;;;/h7-10,13,20,25H,6,11-12,14H2,1-5H3;7-10,13H,6,11-12,14H2,1-5H3;4-8,17H,3H2,1-2H3;4-7,10-11H,8-9,12H2,1-3H3;4H,3H2,1-2H3;2H,1H3,(H,7,8);3H,2H2,1H3
• InChIKey: COCFNHFDKYRTNH-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 408.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.43
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde?

The IUPAC name of dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde (CID 159541023) is dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde.

What is the SMILES notation for dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde?

The canonical SMILES for dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde is CCO.CCOC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C.CCOC(=O)c1nc(C(=O)c2cn(COCC[Si](C)(C)C)c3ccccc23)sc1C.CCOC(=O)c1nc(C(O)c2cn(COCC[Si](C)(C)C)c3ccccc23)sc1C.CCOC(=O)c1ncsc1C.C[Si](C)(C)CCOCn1cc(C=O)c2ccccc21.Cc1scnc1C(=O)O.O=S(Cl)Cl.O=[Mn]=O.

What is the InChIKey of dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde?

The InChIKey is COCFNHFDKYRTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4SSi.C22H28N2O4SSi.C16H14N2O3S.C15H21NO2Si.C7H9NO2S.C5H5NO2S.C2H6O.Cl2OS.Mn.2O/c2*1-6-28-22(26)19-15(2)29-21(23-19)20(25)17-13-24(14-27-11-12-30(3,4)5)18-10-8-7-9-16(17)18;1-3-21-16(20)13-9(2)22-15(18-13)14(19)11-8-17-12-7-5-4-6-10(11)12;1-19(2,3)9-8-18-12-16-10-13(11-17)14-6-4-5-7-15(14)16;1-3-10-7(9)6-5(2)11-4-8-6;1-3-4(5(7)8)6-2-9-3;1-2-3;1-4(2)3;;;/h7-10,13,20,25H,6,11-12,14H2,1-5H3;7-10,13H,6,11-12,14H2,1-5H3;4-8,17H,3H2,1-2H3;4-7,10-11H,8-9,12H2,1-3H3;4H,3H2,1-2H3;2H,1H3,(H,7,8);3H,2H2,1H3;;;;.

What are the key properties of dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde?

dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde has a molecular weight of 2047.43 g/mol, XLogP of 20.79, 31 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dioxomanganese;ethanol;ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate;ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-1,3-thiazole-4-carboxylate;ethyl 5-methyl-2-[1-(2-trimethylsilylethoxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;5-methyl-1,3-thiazole-4-carboxylic acid;thionyl dichloride;1-(2-trimethylsilylethoxymethyl)indole-3-carbaldehyde is sourced from PubChem (CID 159541023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).