ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate

C12H14N2O3S — CID 10378238

IUPACethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(OCCn2ccnc2)s1
InChIInChI=1S/C12H14N2O3S/c1-2-16-12(15)10-3-4-11(18-10)17-8-7-14-6-5-13-9-14/h3-6,9H,2,7-8H2,1H3
InChIKeySUFXERLFTNSGHI-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.20
Rot. Bonds6

About ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate

ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate (PubChem CID 10378238) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate
PubChem CID10378238
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(OCCn2ccnc2)s1
InChIInChI=1S/C12H14N2O3S/c1-2-16-12(15)10-3-4-11(18-10)17-8-7-14-6-5-13-9-14/h3-6,9H,2,7-8H2,1H3
InChIKeySUFXERLFTNSGHI-UHFFFAOYSA-N
XLogP2.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate
CID 13376234
propyl 4-(2-imidazol-1-ylethoxy)benzoate
CID 173412849
[5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate
CID 70466919
ethyl 1-(2-imidazol-1-ylethyl)-3-methylpyrrole-2-carboxylate
CID 105421743
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
tert-butyl 2-imidazol-1-ylethyl carbonate
CID 58743666
ethyl 5-acetyl-2-(2-imidazol-1-ylethylamino)-1,3-thiazole-4-carboxylate
CID 107377667
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
1-[4-(2,6-dimethylphenoxy)butyl]imidazole;oxalic acid
CID 2843619

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate (CID 10378238) is ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate is CCOC(=O)c1ccc(OCCn2ccnc2)s1.
What is the InChIKey of ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate?
The InChIKey is SUFXERLFTNSGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-2-16-12(15)10-3-4-11(18-10)17-8-7-14-6-5-13-9-14/h3-6,9H,2,7-8H2,1H3.
What are the key properties of ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate?
ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate is sourced from PubChem (CID 10378238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).