ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate

C14H19N3O2S — CID 62844226

IUPACethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C(C)c2ccsc2)c1N
InChIInChI=1S/C14H19N3O2S/c1-4-11-16-12(14(18)19-5-2)13(15)17(11)9(3)10-6-7-20-8-10/h6-9H,4-5,15H2,1-3H3
InChIKeyIGLRAGRSFGKTJS-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.88
Rot. Bonds5

About ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate

ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate (PubChem CID 62844226) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate
PubChem CID62844226
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Nameethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(C(C)c2ccsc2)c1N
InChIInChI=1S/C14H19N3O2S/c1-4-11-16-12(14(18)19-5-2)13(15)17(11)9(3)10-6-7-20-8-10/h6-9H,4-5,15H2,1-3H3
InChIKeyIGLRAGRSFGKTJS-UHFFFAOYSA-N
XLogP2.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate (CID 62844226) is ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(C(C)c2ccsc2)c1N.
What is the InChIKey of ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate?
The InChIKey is IGLRAGRSFGKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-4-11-16-12(14(18)19-5-2)13(15)17(11)9(3)10-6-7-20-8-10/h6-9H,4-5,15H2,1-3H3.
What are the key properties of ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate?
ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-ethyl-1-(1-thiophen-3-ylethyl)imidazole-4-carboxylate is sourced from PubChem (CID 62844226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).