2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate

C32H26N4O7S2 — CID 156515612

IUPAC2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OCCOCCOC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C
InChIInChI=1S/C32H26N4O7S2/c1-17-25(35-29(44-17)27(37)21-15-33-23-9-5-3-7-19(21)23)31(39)42-13-11-41-12-14-43-32(40)26-18(2)45-30(36-26)28(38)22-16-34-24-10-6-4-8-20(22)24/h3-10,15-16,33-34H,11-14H2,1-2H3
InChIKeyQUKNMYGUVPARCT-UHFFFAOYSA-N
MW642.71 g/mol
LogP5.67
Rot. Bonds12

About 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate

2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 156515612) has the molecular formula C32H26N4O7S2 and a molecular weight of 642.71 g/mol. Its IUPAC name is 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID156515612
Molecular FormulaC32H26N4O7S2
Molecular Weight642.71 g/mol
Exact Mass642.12
IUPAC Name2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OCCOCCOC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C
InChIInChI=1S/C32H26N4O7S2/c1-17-25(35-29(44-17)27(37)21-15-33-23-9-5-3-7-19(21)23)31(39)42-13-11-41-12-14-43-32(40)26-18(2)45-30(36-26)28(38)22-16-34-24-10-6-4-8-20(22)24/h3-10,15-16,33-34H,11-14H2,1-2H3
InChIKeyQUKNMYGUVPARCT-UHFFFAOYSA-N
XLogP5.67
TPSA153.33 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500642.71
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 156515612) is 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate is Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)OCCOCCOC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C.
What is the InChIKey of 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is QUKNMYGUVPARCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O7S2/c1-17-25(35-29(44-17)27(37)21-15-33-23-9-5-3-7-19(21)23)31(39)42-13-11-41-12-14-43-32(40)26-18(2)45-30(36-26)28(38)22-16-34-24-10-6-4-8-20(22)24/h3-10,15-16,33-34H,11-14H2,1-2H3.
What are the key properties of 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate?
2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 642.71 g/mol, XLogP of 5.67, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethoxy]ethyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 156515612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).