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

C15H24N2O3SSi — CID 22387741

IUPACethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(nc(C)n2COCC[Si](C)(C)C)s1
InChIInChI=1S/C15H24N2O3SSi/c1-6-20-15(18)13-9-12-14(21-13)16-11(2)17(12)10-19-7-8-22(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyQNTLRGCNNHTODS-UHFFFAOYSA-N
MW340.52 g/mol
LogP3.90
Rot. Bonds7

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

ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate (PubChem CID 22387741) has the molecular formula C15H24N2O3SSi and a molecular weight of 340.52 g/mol. Its IUPAC name is ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
PubChem CID22387741
Molecular FormulaC15H24N2O3SSi
Molecular Weight340.52 g/mol
Exact Mass340.13
IUPAC Nameethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(nc(C)n2COCC[Si](C)(C)C)s1
InChIInChI=1S/C15H24N2O3SSi/c1-6-20-15(18)13-9-12-14(21-13)16-11(2)17(12)10-19-7-8-22(3,4)5/h9H,6-8,10H2,1-5H3
InChIKeyQNTLRGCNNHTODS-UHFFFAOYSA-N
XLogP3.90
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.90
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 2,6-dimethyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 166094894
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
ethyl 2-(chloromethyl)-1-(oxetan-2-ylmethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 162517410
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397
ethyl 2-formyl-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 166074597
ethyl 7-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridine-2-carboxylate
CID 166476125
ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate
CID 10809190
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 6-oxo-1-(2-trimethylsilylethoxymethyl)pyrimidine-4-carboxylate
CID 59006647
ethyl 2-chloro-6,7-difluoro-3-(2-trimethylsilylethoxymethyl)benzimidazole-4-carboxylate
CID 145190736

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate (CID 22387741) is ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate is CCOC(=O)c1cc2c(nc(C)n2COCC[Si](C)(C)C)s1.
What is the InChIKey of ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate?
The InChIKey is QNTLRGCNNHTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3SSi/c1-6-20-15(18)13-9-12-14(21-13)16-11(2)17(12)10-19-7-8-22(3,4)5/h9H,6-8,10H2,1-5H3.
What are the key properties of ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate?
ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate has a molecular weight of 340.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate is sourced from PubChem (CID 22387741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).