1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone

C12H10ClNOS — CID 2777494

IUPAC1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C12H10ClNOS/c1-7(15)12-10(14)6-11(16-12)8-2-4-9(13)5-3-8/h2-6H,14H2,1H3
InChIKeyDLQVOIFYJQATMI-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.85
Rot. Bonds2

About 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone

1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone (PubChem CID 2777494) has the molecular formula C12H10ClNOS and a molecular weight of 251.74 g/mol. Its IUPAC name is 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone
PubChem CID2777494
Molecular FormulaC12H10ClNOS
Molecular Weight251.74 g/mol
Exact Mass251.02
IUPAC Name1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C12H10ClNOS/c1-7(15)12-10(14)6-11(16-12)8-2-4-9(13)5-3-8/h2-6H,14H2,1H3
InChIKeyDLQVOIFYJQATMI-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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone (CID 2777494) is 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone is CC(=O)c1sc(-c2ccc(Cl)cc2)cc1N.
What is the InChIKey of 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone?
The InChIKey is DLQVOIFYJQATMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS/c1-7(15)12-10(14)6-11(16-12)8-2-4-9(13)5-3-8/h2-6H,14H2,1H3.
What are the key properties of 1-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone?
1-[3-amino-5-(4-chlorophenyl)thiophen-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-[3-amino-5-(4-chlorophenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 2777494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).