methyl 4-aminothiophene-2-carboxylate

C6H7NO2S — CID 10773224

IUPACmethyl 4-aminothiophene-2-carboxylate
SMILESCOC(=O)c1cc(N)cs1
InChIInChI=1S/C6H7NO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,7H2,1H3
InChIKeyHCRQNZWIOUMCOW-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.12
Rot. Bonds1

About methyl 4-aminothiophene-2-carboxylate

methyl 4-aminothiophene-2-carboxylate (PubChem CID 10773224) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is methyl 4-aminothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-aminothiophene-2-carboxylate
PubChem CID10773224
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namemethyl 4-aminothiophene-2-carboxylate
SMILESCOC(=O)c1cc(N)cs1
InChIInChI=1S/C6H7NO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,7H2,1H3
InChIKeyHCRQNZWIOUMCOW-UHFFFAOYSA-N
XLogP1.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-aminothiophene-2-carboxylate?
The IUPAC name of methyl 4-aminothiophene-2-carboxylate (CID 10773224) is methyl 4-aminothiophene-2-carboxylate.
What is the SMILES notation for methyl 4-aminothiophene-2-carboxylate?
The canonical SMILES for methyl 4-aminothiophene-2-carboxylate is COC(=O)c1cc(N)cs1.
What is the InChIKey of methyl 4-aminothiophene-2-carboxylate?
The InChIKey is HCRQNZWIOUMCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,7H2,1H3.
What are the key properties of methyl 4-aminothiophene-2-carboxylate?
methyl 4-aminothiophene-2-carboxylate has a molecular weight of 157.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-aminothiophene-2-carboxylate is sourced from PubChem (CID 10773224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).