methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate

C86H90N8O32S4 — CID 158628987

About methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate

methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate (PubChem CID 158628987) has the molecular formula C86H90N8O32S4 and a molecular weight of 1875.96 g/mol. Its IUPAC name is methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
• PubChem CID: 158628987
• Molecular Formula: C86H90N8O32S4
• Molecular Weight: 1875.96 g/mol
• Exact Mass: 1874.45
• IUPAC Name: methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
• SMILES: COC(=O)COCCOC(=O)n1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21.COCCOCCOC(=O)n1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21.COCCOCCOCCOC(=O)n1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21.COCCOCCOCCOCC(=O)OCn1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21
• InChI: InChI=1S/C24H28N2O9S.C22H24N2O8S.C20H18N2O8S.C20H20N2O7S/c1-30-7-8-32-9-10-33-11-12-34-14-21(27)35-16-26-13-18(17-5-3-4-6-20(17)26)22(28)23-25-19(15-36-23)24(29)31-2;1-28-7-8-30-9-10-31-11-12-32-22(27)24-13-16(15-5-3-4-6-18(15)24)19(25)20-23-17(14-33-20)21(26)29-2;1-27-16(23)10-29-7-8-30-20(26)22-9-13(12-5-3-4-6-15(12)22)17(24)18-21-14(11-31-18)19(25)28-2;1-26-7-8-28-9-10-29-20(25)22-11-14(13-5-3-4-6-16(13)22)17(23)18-21-15(12-30-18)19(24)27-2/h3-6,13,15H,7-12,14,16H2,1-2H3;3-6,13-14H,7-12H2,1-2H3;3-6,9,11H,7-8,10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3
• InChIKey: HYYLEMMGANTEJC-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 468.56 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 45
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1875.96
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?

The IUPAC name of methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate (CID 158628987) is methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate is COC(=O)COCCOC(=O)n1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21.COCCOCCOC(=O)n1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21.COCCOCCOCCOC(=O)n1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21.COCCOCCOCCOCC(=O)OCn1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21.

What is the InChIKey of methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?

The InChIKey is HYYLEMMGANTEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O9S.C22H24N2O8S.C20H18N2O8S.C20H20N2O7S/c1-30-7-8-32-9-10-33-11-12-34-14-21(27)35-16-26-13-18(17-5-3-4-6-20(17)26)22(28)23-25-19(15-36-23)24(29)31-2;1-28-7-8-30-9-10-31-11-12-32-22(27)24-13-16(15-5-3-4-6-18(15)24)19(25)20-23-17(14-33-20)21(26)29-2;1-27-16(23)10-29-7-8-30-20(26)22-9-13(12-5-3-4-6-15(12)22)17(24)18-21-14(11-31-18)19(25)28-2;1-26-7-8-28-9-10-29-20(25)22-11-14(13-5-3-4-6-16(13)22)17(23)18-21-15(12-30-18)19(24)27-2/h3-6,13,15H,7-12,14,16H2,1-2H3;3-6,13-14H,7-12H2,1-2H3;3-6,9,11H,7-8,10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3.

What are the key properties of methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?

methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate has a molecular weight of 1875.96 g/mol, XLogP of 10.14, 45 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[1-[2-(2-methoxyethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-[2-(2-methoxy-2-oxoethoxy)ethoxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 158628987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).