1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone

C12H11NO2S — CID 18185910

IUPAC1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(N)ccc2O)s1
InChIInChI=1S/C12H11NO2S/c1-7(14)11-4-5-12(16-11)9-6-8(13)2-3-10(9)15/h2-6,15H,13H2,1H3
InChIKeySSTWZPOTDVFTAU-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.91
Rot. Bonds2

About 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone

1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone (PubChem CID 18185910) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone
PubChem CID18185910
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cc(N)ccc2O)s1
InChIInChI=1S/C12H11NO2S/c1-7(14)11-4-5-12(16-11)9-6-8(13)2-3-10(9)15/h2-6,15H,13H2,1H3
InChIKeySSTWZPOTDVFTAU-UHFFFAOYSA-N
XLogP2.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone 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 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone (CID 18185910) is 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cc(N)ccc2O)s1.
What is the InChIKey of 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone?
The InChIKey is SSTWZPOTDVFTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7(14)11-4-5-12(16-11)9-6-8(13)2-3-10(9)15/h2-6,15H,13H2,1H3.
What are the key properties of 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone?
1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone has a molecular weight of 233.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-amino-2-hydroxyphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 18185910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).