ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate

C11H12N2O3S — CID 58031633

IUPACethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-n2cc[nH]c2=O)cc1C
InChIInChI=1S/C11H12N2O3S/c1-3-16-10(14)9-7(2)6-8(17-9)13-5-4-12-11(13)15/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyVRVREQWEXHNSCS-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.71
Rot. Bonds3

About ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate

ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate (PubChem CID 58031633) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate
PubChem CID58031633
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Nameethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-n2cc[nH]c2=O)cc1C
InChIInChI=1S/C11H12N2O3S/c1-3-16-10(14)9-7(2)6-8(17-9)13-5-4-12-11(13)15/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyVRVREQWEXHNSCS-UHFFFAOYSA-N
XLogP1.71
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate (CID 58031633) is ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate is CCOC(=O)c1sc(-n2cc[nH]c2=O)cc1C.
What is the InChIKey of ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate?
The InChIKey is VRVREQWEXHNSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-3-16-10(14)9-7(2)6-8(17-9)13-5-4-12-11(13)15/h4-6H,3H2,1-2H3,(H,12,15).
What are the key properties of ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate?
ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(2-oxo-1H-imidazol-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 58031633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).