5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride

C7H10ClNO2S — CID 67398826

IUPAC5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride
SMILESCl.NCCc1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO2S.ClH/c8-4-3-5-1-2-6(11-5)7(9)10;/h1-2H,3-4,8H2,(H,9,10);1H
InChIKeyXTDIPDFPXNYZBM-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.37
Rot. Bonds3

About 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride

5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride (PubChem CID 67398826) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride
PubChem CID67398826
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride
SMILESCl.NCCc1ccc(C(=O)O)s1
InChIInChI=1S/C7H9NO2S.ClH/c8-4-3-5-1-2-6(11-5)7(9)10;/h1-2H,3-4,8H2,(H,9,10);1H
InChIKeyXTDIPDFPXNYZBM-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride (CID 67398826) is 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride is Cl.NCCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride?
The InChIKey is XTDIPDFPXNYZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c8-4-3-5-1-2-6(11-5)7(9)10;/h1-2H,3-4,8H2,(H,9,10);1H.
What are the key properties of 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride?
5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)thiophene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67398826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).