1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone

C12H10ClNOS — CID 116581909

IUPAC1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
SMILESNc1ccc(C(=O)Cc2ccsc2)cc1Cl
InChIInChI=1S/C12H10ClNOS/c13-10-6-9(1-2-11(10)14)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5,14H2
InChIKeyQPCBKXSPERJSDA-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone

1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone (PubChem CID 116581909) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
PubChem CID116581909
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
SMILESNc1ccc(C(=O)Cc2ccsc2)cc1Cl
InChIInChI=1S/C12H10ClNOS/c13-10-6-9(1-2-11(10)14)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5,14H2
InChIKeyQPCBKXSPERJSDA-UHFFFAOYSA-N
XLogP3.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanone
CID 63093497
N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
CID 82862101
1-(4-amino-3-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 116581887
1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
CID 61053848
1-(2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054052
1-(2,3-dihydro-1-benzofuran-5-yl)-2-thiophen-3-ylethanone
CID 62199397
1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116581836
1-(5-bromo-2-chlorophenyl)-2-thiophen-3-ylethanone
CID 61054270
1-[2-amino-5-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanone
CID 112556312
1-[3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylethanone
CID 173247446
1-(4-amino-3-chlorophenyl)-3-cyclopropylpropan-1-one
CID 116581916
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-2-thiophen-3-ylacetamide
CID 107809971

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone (CID 116581909) is 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone is Nc1ccc(C(=O)Cc2ccsc2)cc1Cl.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone?
The InChIKey is QPCBKXSPERJSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c13-10-6-9(1-2-11(10)14)12(15)5-8-3-4-16-7-8/h1-4,6-7H,5,14H2.
What are the key properties of 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone?
1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone has a molecular weight of 251.74 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone is sourced from PubChem (CID 116581909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).