N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide

C42H54I2N8O6S2 — CID 158139443

About N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide

N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide (PubChem CID 158139443) has the molecular formula C42H54I2N8O6S2 and a molecular weight of 1084.89 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide.

Molecular Properties

• Compound Name: N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide
• PubChem CID: 158139443
• Molecular Formula: C42H54I2N8O6S2
• Molecular Weight: 1084.89 g/mol
• Exact Mass: 1084.17
• IUPAC Name: N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide
• SMILES: CI.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)NCCOCCN(C)C.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)NCCOCC[N+](C)(C)C.[I-]
• InChI: InChI=1S/C21H26N4O3S.C20H24N4O3S.CH3I.HI/c1-14-18(20(27)22-9-11-28-12-10-25(2,3)4)24-21(29-14)19(26)16-13-23-17-8-6-5-7-15(16)17;1-13-17(19(26)21-8-10-27-11-9-24(2)3)23-20(28-13)18(25)15-12-22-16-7-5-4-6-14(15)16;1-2;/h5-8,13H,9-12H2,1-4H3,(H-,22,23,26,27);4-7,12,22H,8-11H2,1-3H3,(H,21,26);1H3;1H
• InChIKey: DKOQSSNNSGJEOU-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 171.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1084.89
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide?

The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide (CID 158139443) is N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide.

What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide?

The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide is CI.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)NCCOCCN(C)C.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)NCCOCC[N+](C)(C)C.[I-].

What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide?

The InChIKey is DKOQSSNNSGJEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S.C20H24N4O3S.CH3I.HI/c1-14-18(20(27)22-9-11-28-12-10-25(2,3)4)24-21(29-14)19(26)16-13-23-17-8-6-5-7-15(16)17;1-13-17(19(26)21-8-10-27-11-9-24(2)3)23-20(28-13)18(25)15-12-22-16-7-5-4-6-14(15)16;1-2;/h5-8,13H,9-12H2,1-4H3,(H-,22,23,26,27);4-7,12,22H,8-11H2,1-3H3,(H,21,26);1H3;1H.

What are the key properties of N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide?

N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide has a molecular weight of 1084.89 g/mol, XLogP of 3.14, 18 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-[2-[[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]ethoxy]ethyl-trimethylazanium;iodomethane;iodide is sourced from PubChem (CID 158139443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).