5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole

C116H188N17O15S2+ — CID 159406097

About 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole

5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole (PubChem CID 159406097) has the molecular formula C116H188N17O15S2+ and a molecular weight of 2127.03 g/mol. Its IUPAC name is 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole
• PubChem CID: 159406097
• Molecular Formula: C116H188N17O15S2+
• Molecular Weight: 2127.03 g/mol
• Exact Mass: 2125.40
• IUPAC Name: 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole
• SMILES: C.CC(C)OCc1cccn1CCO.CC(C)OCc1cccn1CCOCc1ccccc1.CC(C)OCc1cnc[nH]1.CC(C)OCc1cncs1.CCc1ccc(COC(C)C)cn1.CCn1cncc1COC(C)C.Cc1ccc(COC(C)C)c[n+]1O.Cc1ncc(COC(C)C)[nH]1.Cc1ncc(COC(C)C)cn1.Cc1ncc(COC(C)C)n1C.Cc1ncc(COC(C)C)s1.[2H]C([2H])(OC(C)C)c1ccc(C)nc1
• InChI: InChI=1S/C17H23NO2.C11H17NO.C10H16NO2.C10H17NO2.C10H15NO.C9H16N2O.C9H14N2O.C9H16N2O.C8H14N2O.C8H13NOS.C7H12N2O.C7H11NOS.CH4/c1-15(2)20-14-17-9-6-10-18(17)11-12-19-13-16-7-4-3-5-8-16;1-4-11-6-5-10(7-12-11)8-13-9(2)3;1-8(2)13-7-10-5-4-9(3)11(12)6-10;1-9(2)13-8-10-4-3-5-11(10)6-7-12;1-8(2)12-7-10-5-4-9(3)11-6-10;1-7(2)12-6-9-5-10-8(3)11(9)4;1-7(2)12-6-9-4-10-8(3)11-5-9;1-4-11-7-10-5-9(11)6-12-8(2)3;1-6(2)11-5-8-4-9-7(3)10-8;1-6(2)10-5-8-4-9-7(3)11-8;1-6(2)10-4-7-3-8-5-9-7;1-6(2)9-4-7-3-8-5-10-7;/h3-10,15H,11-14H2,1-2H3;5-7,9H,4,8H2,1-3H3;4-6,8,12H,7H2,1-3H3;3-5,9,12H,6-8H2,1-2H3;4-6,8H,7H2,1-3H3;5,7H,6H2,1-4H3;4-5,7H,6H2,1-3H3;5,7-8H,4,6H2,1-3H3;4,6H,5H2,1-3H3,(H,9,10);4,6H,5H2,1-3H3;3,5-6H,4H2,1-2H3,(H,8,9);3,5-6H,4H2,1-2H3;1H4/q;;+1;;;;;;;;;;/i;;;;7D2
• InChIKey: PZAHKDQEAALTMX-IIJRHWJTSA-N
• XLogP: 24.61
• TPSA: 344.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 45
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2127.03
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole?

The IUPAC name of 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole (CID 159406097) is 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole.

What is the SMILES notation for 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole?

The canonical SMILES for 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole is C.CC(C)OCc1cccn1CCO.CC(C)OCc1cccn1CCOCc1ccccc1.CC(C)OCc1cnc[nH]1.CC(C)OCc1cncs1.CCc1ccc(COC(C)C)cn1.CCn1cncc1COC(C)C.Cc1ccc(COC(C)C)c[n+]1O.Cc1ncc(COC(C)C)[nH]1.Cc1ncc(COC(C)C)cn1.Cc1ncc(COC(C)C)n1C.Cc1ncc(COC(C)C)s1.[2H]C([2H])(OC(C)C)c1ccc(C)nc1.

What is the InChIKey of 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole?

The InChIKey is PZAHKDQEAALTMX-IIJRHWJTSA-N. The full InChI is InChI=1S/C17H23NO2.C11H17NO.C10H16NO2.C10H17NO2.C10H15NO.C9H16N2O.C9H14N2O.C9H16N2O.C8H14N2O.C8H13NOS.C7H12N2O.C7H11NOS.CH4/c1-15(2)20-14-17-9-6-10-18(17)11-12-19-13-16-7-4-3-5-8-16;1-4-11-6-5-10(7-12-11)8-13-9(2)3;1-8(2)13-7-10-5-4-9(3)11(12)6-10;1-9(2)13-8-10-4-3-5-11(10)6-7-12;1-8(2)12-7-10-5-4-9(3)11-6-10;1-7(2)12-6-9-5-10-8(3)11(9)4;1-7(2)12-6-9-4-10-8(3)11-5-9;1-4-11-7-10-5-9(11)6-12-8(2)3;1-6(2)11-5-8-4-9-7(3)10-8;1-6(2)10-5-8-4-9-7(3)11-8;1-6(2)10-4-7-3-8-5-9-7;1-6(2)9-4-7-3-8-5-10-7;/h3-10,15H,11-14H2,1-2H3;5-7,9H,4,8H2,1-3H3;4-6,8,12H,7H2,1-3H3;3-5,9,12H,6-8H2,1-2H3;4-6,8H,7H2,1-3H3;5,7H,6H2,1-4H3;4-5,7H,6H2,1-3H3;5,7-8H,4,6H2,1-3H3;4,6H,5H2,1-3H3,(H,9,10);4,6H,5H2,1-3H3;3,5-6H,4H2,1-2H3,(H,8,9);3,5-6H,4H2,1-2H3;1H4/q;;+1;;;;;;;;;;/i;;;;7D2;;;;;;;;.

What are the key properties of 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole?

5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole has a molecular weight of 2127.03 g/mol, XLogP of 24.61, 45 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[dideuterio(propan-2-yloxy)methyl]-2-methylpyridine;1,2-dimethyl-5-(propan-2-yloxymethyl)imidazole;1-ethyl-5-(propan-2-yloxymethyl)imidazole;2-ethyl-5-(propan-2-yloxymethyl)pyridine;1-hydroxy-2-methyl-5-(propan-2-yloxymethyl)pyridin-1-ium;methane;2-methyl-5-(propan-2-yloxymethyl)-1H-imidazole;2-methyl-5-(propan-2-yloxymethyl)pyrimidine;2-methyl-5-(propan-2-yloxymethyl)-1,3-thiazole;1-(2-phenylmethoxyethyl)-2-(propan-2-yloxymethyl)pyrrole;5-(propan-2-yloxymethyl)-1H-imidazole;2-[2-(propan-2-yloxymethyl)pyrrol-1-yl]ethanol;5-(propan-2-yloxymethyl)-1,3-thiazole is sourced from PubChem (CID 159406097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).