dimethyl 5-aminothiophene-2,4-dicarboxylate

C8H9NO4S — CID 19982419

IUPACdimethyl 5-aminothiophene-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c(N)s1
InChIInChI=1S/C8H9NO4S/c1-12-7(10)4-3-5(8(11)13-2)14-6(4)9/h3H,9H2,1-2H3
InChIKeyJGSUBIBLWZPYLN-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.90
Rot. Bonds2

About dimethyl 5-aminothiophene-2,4-dicarboxylate

dimethyl 5-aminothiophene-2,4-dicarboxylate (PubChem CID 19982419) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is dimethyl 5-aminothiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-aminothiophene-2,4-dicarboxylate
PubChem CID19982419
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Namedimethyl 5-aminothiophene-2,4-dicarboxylate
SMILESCOC(=O)c1cc(C(=O)OC)c(N)s1
InChIInChI=1S/C8H9NO4S/c1-12-7(10)4-3-5(8(11)13-2)14-6(4)9/h3H,9H2,1-2H3
InChIKeyJGSUBIBLWZPYLN-UHFFFAOYSA-N
XLogP0.90
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-5-(4-methoxybenzoyl)thiophene-3-carboxylate
CID 19894835
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride
CID 172915979
methyl 2-amino-5-nitrothiophene-3-carboxylate
CID 2737610
dimethyl 2,5-ditert-butylbenzene-1,4-dicarboxylate
CID 11833728
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 2-amino-5-octylthiophene-3-carboxylate
CID 72704993
methyl 2-amino-5-(1-phenylethyl)thiophene-3-carboxylate
CID 3518251
methyl 3-amino-1H-thieno[3,2-c]pyrazole-5-carboxylate
CID 44558323
methyl 4,6-dibromoselenopheno[3,4-b]thiophene-2-carboxylate
CID 70874095
methyl 2-amino-5-[2-(4-methylphenyl)ethyl]thiophene-3-carboxylate
CID 118053542
methyl 7-aminothieno[2,3-c]pyridine-2-carboxylate
CID 84675996

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-aminothiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-aminothiophene-2,4-dicarboxylate (CID 19982419) is dimethyl 5-aminothiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-aminothiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-aminothiophene-2,4-dicarboxylate is COC(=O)c1cc(C(=O)OC)c(N)s1.
What is the InChIKey of dimethyl 5-aminothiophene-2,4-dicarboxylate?
The InChIKey is JGSUBIBLWZPYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-12-7(10)4-3-5(8(11)13-2)14-6(4)9/h3H,9H2,1-2H3.
What are the key properties of dimethyl 5-aminothiophene-2,4-dicarboxylate?
dimethyl 5-aminothiophene-2,4-dicarboxylate has a molecular weight of 215.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-aminothiophene-2,4-dicarboxylate is sourced from PubChem (CID 19982419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).