1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride

C12H12ClNOS — CID 134143192

IUPAC1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(-c2cccc(N)c2)s1.Cl
InChIInChI=1S/C12H11NOS.ClH/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9;/h2-7H,13H2,1H3;1H
InChIKeyPAMMENBPALFIBR-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.62
Rot. Bonds2

About 1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride

1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride (PubChem CID 134143192) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride
PubChem CID134143192
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(-c2cccc(N)c2)s1.Cl
InChIInChI=1S/C12H11NOS.ClH/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9;/h2-7H,13H2,1H3;1H
InChIKeyPAMMENBPALFIBR-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.62
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-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride?
The IUPAC name of 1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride (CID 134143192) is 1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride is CC(=O)c1ccc(-c2cccc(N)c2)s1.Cl.
What is the InChIKey of 1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride?
The InChIKey is PAMMENBPALFIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS.ClH/c1-8(14)11-5-6-12(15-11)9-3-2-4-10(13)7-9;/h2-7H,13H2,1H3;1H.
What are the key properties of 1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride?
1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride has a molecular weight of 253.75 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-aminophenyl)thiophen-2-yl]ethanone;hydrochloride is sourced from PubChem (CID 134143192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).