3-amino-4-ethylthiophene-2-carboxylic acid

C7H9NO2S — CID 18434615

IUPAC3-amino-4-ethylthiophene-2-carboxylic acid
SMILESCCc1csc(C(=O)O)c1N
InChIInChI=1S/C7H9NO2S/c1-2-4-3-11-6(5(4)8)7(9)10/h3H,2,8H2,1H3,(H,9,10)
InChIKeyWMLOUOOXDTUBSN-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.59
Rot. Bonds2

About 3-amino-4-ethylthiophene-2-carboxylic acid

3-amino-4-ethylthiophene-2-carboxylic acid (PubChem CID 18434615) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-amino-4-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-ethylthiophene-2-carboxylic acid
PubChem CID18434615
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name3-amino-4-ethylthiophene-2-carboxylic acid
SMILESCCc1csc(C(=O)O)c1N
InChIInChI=1S/C7H9NO2S/c1-2-4-3-11-6(5(4)8)7(9)10/h3H,2,8H2,1H3,(H,9,10)
InChIKeyWMLOUOOXDTUBSN-UHFFFAOYSA-N
XLogP1.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethylthiophene-2-carboxylic acid?
The IUPAC name of 3-amino-4-ethylthiophene-2-carboxylic acid (CID 18434615) is 3-amino-4-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-4-ethylthiophene-2-carboxylic acid is CCc1csc(C(=O)O)c1N.
What is the InChIKey of 3-amino-4-ethylthiophene-2-carboxylic acid?
The InChIKey is WMLOUOOXDTUBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-2-4-3-11-6(5(4)8)7(9)10/h3H,2,8H2,1H3,(H,9,10).
What are the key properties of 3-amino-4-ethylthiophene-2-carboxylic acid?
3-amino-4-ethylthiophene-2-carboxylic acid has a molecular weight of 171.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 18434615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).