ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate

C11H12N2O2S — CID 70858476

IUPACethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)[nH]c1C
InChIInChI=1S/C11H12N2O2S/c1-3-15-11(14)9-7(2)12-10(13-9)8-5-4-6-16-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyZKTASOKPTAHMAE-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.62
Rot. Bonds3

About ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate

ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate (PubChem CID 70858476) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
PubChem CID70858476
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Nameethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cccs2)[nH]c1C
InChIInChI=1S/C11H12N2O2S/c1-3-15-11(14)9-7(2)12-10(13-9)8-5-4-6-16-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyZKTASOKPTAHMAE-UHFFFAOYSA-N
XLogP2.62
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-benzamido-2-thiophen-2-yl-1H-imidazole-5-carboxylate
CID 17039215
ethyl 2-(2-chlorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445075
ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
CID 53404405
ethyl 2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445087
ethyl 2,5-dimethyl-4-thiophen-2-yl-1H-pyrrole-3-carboxylate
CID 13380754
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
ethyl 5-phenoxy-3-thiophen-2-yl-1,2,4-triazine-6-carboxylate
CID 6411671
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839
ethyl 2-(2,4-difluorophenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 62227384
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate (CID 70858476) is ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(-c2cccs2)[nH]c1C.
What is the InChIKey of ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate?
The InChIKey is ZKTASOKPTAHMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-15-11(14)9-7(2)12-10(13-9)8-5-4-6-16-8/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate?
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate has a molecular weight of 236.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 70858476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).