methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate

C12H14N2O3S — CID 13376234

IUPACmethyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(OCCn2ccnc2)cc1C
InChIInChI=1S/C12H14N2O3S/c1-9-7-10(18-11(9)12(15)16-2)17-6-5-14-4-3-13-8-14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyGYFHNRQROUZJLN-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.12
Rot. Bonds5

About methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate

methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate (PubChem CID 13376234) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate
PubChem CID13376234
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Namemethyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(OCCn2ccnc2)cc1C
InChIInChI=1S/C12H14N2O3S/c1-9-7-10(18-11(9)12(15)16-2)17-6-5-14-4-3-13-8-14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyGYFHNRQROUZJLN-UHFFFAOYSA-N
XLogP2.12
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2-imidazol-1-ylethoxy)-3-methylthiophen-2-yl] methyl carbonate
CID 70466919
ethyl 5-(2-imidazol-1-ylethoxy)thiophene-2-carboxylate
CID 10378238
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[6-(4-methylthiophen-2-yl)oxyhexyl]imidazole
CID 67807379
methyl 1-(3-imidazol-1-ylpropyl)triazole-4-carboxylate
CID 104601011
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
1-(2-methoxyethyl)imidazole
CID 14366840
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
methyl 4-(2-imidazol-1-ylethylamino)-6-methylpyrimidine-2-carboxylate
CID 66286852
tert-butyl 2-imidazol-1-ylethyl carbonate
CID 58743666
propyl 4-(2-imidazol-1-ylethoxy)benzoate
CID 173412849

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate (CID 13376234) is methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate is COC(=O)c1sc(OCCn2ccnc2)cc1C.
What is the InChIKey of methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate?
The InChIKey is GYFHNRQROUZJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9-7-10(18-11(9)12(15)16-2)17-6-5-14-4-3-13-8-14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate?
methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-imidazol-1-ylethoxy)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 13376234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).