ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate

C11H14N2O3S — CID 18412470

IUPACethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(nc(COC)n2C)s1
InChIInChI=1S/C11H14N2O3S/c1-4-16-11(14)8-5-7-10(17-8)12-9(6-15-3)13(7)2/h5H,4,6H2,1-3H3
InChIKeySJHIDBIDNNNDGQ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.96
Rot. Bonds4

About ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate

ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate (PubChem CID 18412470) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate
PubChem CID18412470
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Nameethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate
SMILESCCOC(=O)c1cc2c(nc(COC)n2C)s1
InChIInChI=1S/C11H14N2O3S/c1-4-16-11(14)8-5-7-10(17-8)12-9(6-15-3)13(7)2/h5H,4,6H2,1-3H3
InChIKeySJHIDBIDNNNDGQ-UHFFFAOYSA-N
XLogP1.96
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate?
The IUPAC name of ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate (CID 18412470) is ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate?
The canonical SMILES for ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate is CCOC(=O)c1cc2c(nc(COC)n2C)s1.
What is the InChIKey of ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate?
The InChIKey is SJHIDBIDNNNDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-4-16-11(14)8-5-7-10(17-8)12-9(6-15-3)13(7)2/h5H,4,6H2,1-3H3.
What are the key properties of ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate?
ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)-1-methylthieno[2,3-d]imidazole-5-carboxylate is sourced from PubChem (CID 18412470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).