5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid

C9H13NO2S — CID 22476459

IUPAC5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid
SMILESCCc1cc(CCN)sc1C(=O)O
InChIInChI=1S/C9H13NO2S/c1-2-6-5-7(3-4-10)13-8(6)9(11)12/h5H,2-4,10H2,1H3,(H,11,12)
InChIKeyVUTHXDVPAMOWRU-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.51
Rot. Bonds4

About 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid

5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid (PubChem CID 22476459) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid
PubChem CID22476459
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid
SMILESCCc1cc(CCN)sc1C(=O)O
InChIInChI=1S/C9H13NO2S/c1-2-6-5-7(3-4-10)13-8(6)9(11)12/h5H,2-4,10H2,1H3,(H,11,12)
InChIKeyVUTHXDVPAMOWRU-UHFFFAOYSA-N
XLogP1.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid (CID 22476459) is 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid is CCc1cc(CCN)sc1C(=O)O.
What is the InChIKey of 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid?
The InChIKey is VUTHXDVPAMOWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-6-5-7(3-4-10)13-8(6)9(11)12/h5H,2-4,10H2,1H3,(H,11,12).
What are the key properties of 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid?
5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid has a molecular weight of 199.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-3-ethylthiophene-2-carboxylic acid is sourced from PubChem (CID 22476459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).