2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride

C54H57Cl3N8O13S4 — CID 157264669

About 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride

2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride (PubChem CID 157264669) has the molecular formula C54H57Cl3N8O13S4 and a molecular weight of 1260.72 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride.

Molecular Properties

• Compound Name: 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride
• PubChem CID: 157264669
• Molecular Formula: C54H57Cl3N8O13S4
• Molecular Weight: 1260.72 g/mol
• Exact Mass: 1258.20
• IUPAC Name: 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride
• SMILES: C1CCOC1.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)Cl.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)NCCOCCO.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)O.NCCOCCO.O=S(Cl)Cl
• InChI: InChI=1S/C18H19N3O4S.C14H9ClN2O2S.C14H10N2O3S.C4H11NO2.C4H8O.Cl2OS/c1-11-15(17(24)19-6-8-25-9-7-22)21-18(26-11)16(23)13-10-20-14-5-3-2-4-12(13)14;1-7-11(13(15)19)17-14(20-7)12(18)9-6-16-10-5-3-2-4-8(9)10;1-7-11(14(18)19)16-13(20-7)12(17)9-6-15-10-5-3-2-4-8(9)10;5-1-3-7-4-2-6;1-2-4-5-3-1;1-4(2)3/h2-5,10,20,22H,6-9H2,1H3,(H,19,24);2-6,16H,1H3;2-6,15H,1H3,(H,18,19);6H,1-5H2;1-4H2
• InChIKey: AXVYYSBOWVJRCF-UHFFFAOYSA-N
• XLogP: 9.10
• TPSA: 331.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1260.72
LogP ≤ 5	9.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride?

The IUPAC name of 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride (CID 157264669) is 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride.

What is the SMILES notation for 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride?

The canonical SMILES for 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride is C1CCOC1.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)Cl.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)NCCOCCO.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)O.NCCOCCO.O=S(Cl)Cl.

What is the InChIKey of 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride?

The InChIKey is AXVYYSBOWVJRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S.C14H9ClN2O2S.C14H10N2O3S.C4H11NO2.C4H8O.Cl2OS/c1-11-15(17(24)19-6-8-25-9-7-22)21-18(26-11)16(23)13-10-20-14-5-3-2-4-12(13)14;1-7-11(13(15)19)17-14(20-7)12(18)9-6-16-10-5-3-2-4-8(9)10;1-7-11(14(18)19)16-13(20-7)12(17)9-6-15-10-5-3-2-4-8(9)10;5-1-3-7-4-2-6;1-2-4-5-3-1;1-4(2)3/h2-5,10,20,22H,6-9H2,1H3,(H,19,24);2-6,16H,1H3;2-6,15H,1H3,(H,18,19);6H,1-5H2;1-4H2;.

What are the key properties of 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride?

2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride has a molecular weight of 1260.72 g/mol, XLogP of 9.10, 18 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;oxolane;thionyl dichloride is sourced from PubChem (CID 157264669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).