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

C12H10ClNOS — CID 134858286

IUPAC1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone
SMILESCC(=O)c1cc(Cl)c(-c2ccccc2N)s1
InChIInChI=1S/C12H10ClNOS/c1-7(15)11-6-9(13)12(16-11)8-4-2-3-5-10(8)14/h2-6H,14H2,1H3
InChIKeyWBSBJVCKFUOQLY-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.85
Rot. Bonds2

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

1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone (PubChem CID 134858286) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone
PubChem CID134858286
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone
SMILESCC(=O)c1cc(Cl)c(-c2ccccc2N)s1
InChIInChI=1S/C12H10ClNOS/c1-7(15)11-6-9(13)12(16-11)8-4-2-3-5-10(8)14/h2-6H,14H2,1H3
InChIKeyWBSBJVCKFUOQLY-UHFFFAOYSA-N
XLogP3.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.85
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-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone (CID 134858286) is 1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone is CC(=O)c1cc(Cl)c(-c2ccccc2N)s1.
What is the InChIKey of 1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone?
The InChIKey is WBSBJVCKFUOQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-7(15)11-6-9(13)12(16-11)8-4-2-3-5-10(8)14/h2-6H,14H2,1H3.
What are the key properties of 1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone?
1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone has a molecular weight of 251.74 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminophenyl)-4-chlorothiophen-2-yl]ethanone is sourced from PubChem (CID 134858286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).