methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate

C23H26N2O9S — CID 153430871

IUPACmethyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
SMILESCOCCOCCOCCOC(=O)OCn1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21
InChIInChI=1S/C23H26N2O9S/c1-29-7-8-31-9-10-32-11-12-33-23(28)34-15-25-13-17(16-5-3-4-6-19(16)25)20(26)21-24-18(14-35-21)22(27)30-2/h3-6,13-14H,7-12,15H2,1-2H3
InChIKeyAXRDSIZTDMKJMQ-UHFFFAOYSA-N
MW506.53 g/mol
LogP2.91
Rot. Bonds14

About methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate

methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate (PubChem CID 153430871) has the molecular formula C23H26N2O9S and a molecular weight of 506.53 g/mol. Its IUPAC name is methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
PubChem CID153430871
Molecular FormulaC23H26N2O9S
Molecular Weight506.53 g/mol
Exact Mass506.14
IUPAC Namemethyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
SMILESCOCCOCCOCCOC(=O)OCn1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21
InChIInChI=1S/C23H26N2O9S/c1-29-7-8-31-9-10-32-11-12-33-23(28)34-15-25-13-17(16-5-3-4-6-19(16)25)20(26)21-24-18(14-35-21)22(27)30-2/h3-6,13-14H,7-12,15H2,1-2H3
InChIKeyAXRDSIZTDMKJMQ-UHFFFAOYSA-N
XLogP2.91
TPSA124.41 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
ethyl [3-(2-thienylcarbonyl)-1H-indol-1-yl]acetate
CID 963211
Indolokine A5
CID 23651846
[3-(Thiophene-2-carbonyl)-indol-1-yl]-acetic acid methyl ester
CID 651909
(1-Prop-2-enylindol-3-yl)-(1,3-thiazol-2-yl)methanone
CID 168268999
(1-Methylindol-3-yl)-(1,3-thiazol-2-yl)methanone
CID 168283088
(1-Benzylindol-3-yl)-(1,3-thiazol-2-yl)methanone
CID 168295332
Methyl 2-(5-fluoro-1H-indole-3-carbonyl)thiazole-4-carboxylate
CID 139497394
Methyl 2-[6-fluoro-1-[(2-methoxy-2-oxoethoxy)methyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
CID 139497284
Methyl 2-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-6-fluoroindole-3-carbonyl]-1,3-thiazole-4-carboxylate
CID 139497285
Methyl 2-[1-(2,2-dimethylpropanoyloxymethyl)-6-fluoroindole-3-carbonyl]-1,3-thiazole-4-carboxylate
CID 139497286
Methyl 2-[6-fluoro-1-(3-methylbutanoyloxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate
CID 139497288

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate (CID 153430871) is methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate is COCCOCCOCCOC(=O)OCn1cc(C(=O)c2nc(C(=O)OC)cs2)c2ccccc21.
What is the InChIKey of methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?
The InChIKey is AXRDSIZTDMKJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O9S/c1-29-7-8-31-9-10-32-11-12-33-23(28)34-15-25-13-17(16-5-3-4-6-19(16)25)20(26)21-24-18(14-35-21)22(27)30-2/h3-6,13-14H,7-12,15H2,1-2H3.
What are the key properties of methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate?
methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate has a molecular weight of 506.53 g/mol, XLogP of 2.91, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxycarbonyloxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 153430871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).