1-(3-amino-5-phenylthiophen-2-yl)ethanone

C12H11NOS — CID 2807849

IUPAC1-(3-amino-5-phenylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(-c2ccccc2)cc1N
InChIInChI=1S/C12H11NOS/c1-8(14)12-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyQAHOJPMILKVSAA-UHFFFAOYSA-N
MW217.29 g/mol
LogP3.20
Rot. Bonds2

About 1-(3-amino-5-phenylthiophen-2-yl)ethanone

1-(3-amino-5-phenylthiophen-2-yl)ethanone (PubChem CID 2807849) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(3-amino-5-phenylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-phenylthiophen-2-yl)ethanone
PubChem CID2807849
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name1-(3-amino-5-phenylthiophen-2-yl)ethanone
SMILESCC(=O)c1sc(-c2ccccc2)cc1N
InChIInChI=1S/C12H11NOS/c1-8(14)12-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-7H,13H2,1H3
InChIKeyQAHOJPMILKVSAA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-phenylthiophen-2-yl)ethanone?
The IUPAC name of 1-(3-amino-5-phenylthiophen-2-yl)ethanone (CID 2807849) is 1-(3-amino-5-phenylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(3-amino-5-phenylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(3-amino-5-phenylthiophen-2-yl)ethanone is CC(=O)c1sc(-c2ccccc2)cc1N.
What is the InChIKey of 1-(3-amino-5-phenylthiophen-2-yl)ethanone?
The InChIKey is QAHOJPMILKVSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c1-8(14)12-10(13)7-11(15-12)9-5-3-2-4-6-9/h2-7H,13H2,1H3.
What are the key properties of 1-(3-amino-5-phenylthiophen-2-yl)ethanone?
1-(3-amino-5-phenylthiophen-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-(3-amino-5-phenylthiophen-2-yl)ethanone is sourced from PubChem (CID 2807849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).