ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate

C16H26N2O3SSi — CID 166094894

IUPACethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(C)n(COCC[Si](C)(C)C)c2c1C
InChIInChI=1S/C16H26N2O3SSi/c1-7-21-16(19)14-11(2)13-15(22-14)17-12(3)18(13)10-20-8-9-23(4,5)6/h7-10H2,1-6H3
InChIKeyUYQIVJAIGLDUNC-UHFFFAOYSA-N
MW354.55 g/mol
LogP4.20
Rot. Bonds7

About ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate

ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate (PubChem CID 166094894) has the molecular formula C16H26N2O3SSi and a molecular weight of 354.55 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
PubChem CID166094894
Molecular FormulaC16H26N2O3SSi
Molecular Weight354.55 g/mol
Exact Mass354.14
IUPAC Nameethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1sc2nc(C)n(COCC[Si](C)(C)C)c2c1C
InChIInChI=1S/C16H26N2O3SSi/c1-7-21-16(19)14-11(2)13-15(22-14)17-12(3)18(13)10-20-8-9-23(4,5)6/h7-10H2,1-6H3
InChIKeyUYQIVJAIGLDUNC-UHFFFAOYSA-N
XLogP4.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 22387741
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
ethyl 2-chloro-6,7-difluoro-3-(2-trimethylsilylethoxymethyl)benzimidazole-4-carboxylate
CID 145190736
methyl 5-bromo-2-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 153484145
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397
ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 166476125
ethyl 5-bromo-7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridine-2-carboxylate
CID 169003747
ethyl 3-bromo-4-(2-trimethylsilylethoxymethyl)furo[3,2-b]pyrrole-5-carboxylate
CID 178180599
ethyl 3,4-dichloro-7-methoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 171623271
2-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylic acid
CID 166022930
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate (CID 166094894) is ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate is CCOC(=O)c1sc2nc(C)n(COCC[Si](C)(C)C)c2c1C.
What is the InChIKey of ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate?
The InChIKey is UYQIVJAIGLDUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3SSi/c1-7-21-16(19)14-11(2)13-15(22-14)17-12(3)18(13)10-20-8-9-23(4,5)6/h7-10H2,1-6H3.
What are the key properties of ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate?
ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate has a molecular weight of 354.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate is sourced from PubChem (CID 166094894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).