diethyl 5-aminothiophene-2,4-dicarboxylate

C10H13NO4S — CID 4082907

IUPACdiethyl 5-aminothiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(N)s1
InChIInChI=1S/C10H13NO4S/c1-3-14-9(12)6-5-7(16-8(6)11)10(13)15-4-2/h5H,3-4,11H2,1-2H3
InChIKeyVGQOBGLWXDHIAG-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.68
Rot. Bonds4

About diethyl 5-aminothiophene-2,4-dicarboxylate

diethyl 5-aminothiophene-2,4-dicarboxylate (PubChem CID 4082907) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is diethyl 5-aminothiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-aminothiophene-2,4-dicarboxylate
PubChem CID4082907
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namediethyl 5-aminothiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(N)s1
InChIInChI=1S/C10H13NO4S/c1-3-14-9(12)6-5-7(16-8(6)11)10(13)15-4-2/h5H,3-4,11H2,1-2H3
InChIKeyVGQOBGLWXDHIAG-UHFFFAOYSA-N
XLogP1.68
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 5-aminothiophene-2,4-dicarboxylate
CID 19982419
ethyl 2-amino-5-(2-aminoethyl)thiophene-3-carboxylate
CID 84750743
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764
ethyl 2-amino-5-nitrothiophene-3-carboxylate
CID 2737608
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate
CID 588232
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
ethyl 2-amino-5-[2-[4-(hydroxymethyl)phenyl]ethyl]thiophene-3-carboxylate
CID 118053540
ethyl thieno[3,2-b][1]benzothiole-2-carboxylate
CID 56691109
ethyl 2-amino-4,5-dideuteriothiophene-3-carboxylate
CID 58119897
ethyl 5,6,7-trimethyl-1-benzothiophene-2-carboxylate
CID 158313823

Frequently Asked Questions

What is the IUPAC name of diethyl 5-aminothiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 5-aminothiophene-2,4-dicarboxylate (CID 4082907) is diethyl 5-aminothiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-aminothiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-aminothiophene-2,4-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)c(N)s1.
What is the InChIKey of diethyl 5-aminothiophene-2,4-dicarboxylate?
The InChIKey is VGQOBGLWXDHIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-3-14-9(12)6-5-7(16-8(6)11)10(13)15-4-2/h5H,3-4,11H2,1-2H3.
What are the key properties of diethyl 5-aminothiophene-2,4-dicarboxylate?
diethyl 5-aminothiophene-2,4-dicarboxylate has a molecular weight of 243.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-aminothiophene-2,4-dicarboxylate is sourced from PubChem (CID 4082907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).