1-[5-(4-aminophenyl)thiophen-2-yl]ethanone

C12H11NOS — CID 4962144

IUPAC1-[5-(4-aminophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(N)cc2)s1
InChIInChI=1S/C12H11NOS/c1-8(14)11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7H,13H2,1H3
InChIKeyVETKWTPGRXBGSW-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.20
Rot. Bonds2

About 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone

1-[5-(4-aminophenyl)thiophen-2-yl]ethanone (PubChem CID 4962144) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-aminophenyl)thiophen-2-yl]ethanone
PubChem CID4962144
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-[5-(4-aminophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(N)cc2)s1
InChIInChI=1S/C12H11NOS/c1-8(14)11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7H,13H2,1H3
InChIKeyVETKWTPGRXBGSW-UHFFFAOYSA-N
XLogP3.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone (CID 4962144) is 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccc(N)cc2)s1.
What is the InChIKey of 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone?
The InChIKey is VETKWTPGRXBGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8(14)11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7H,13H2,1H3.
What are the key properties of 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone?
1-[5-(4-aminophenyl)thiophen-2-yl]ethanone has a molecular weight of 217.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminophenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 4962144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).