2-amino-1-(4-chlorothiophen-2-yl)ethanone

C6H6ClNOS — CID 57455763

IUPAC2-amino-1-(4-chlorothiophen-2-yl)ethanone
SMILESNCC(=O)c1cc(Cl)cs1
InChIInChI=1S/C6H6ClNOS/c7-4-1-6(10-3-4)5(9)2-8/h1,3H,2,8H2
InChIKeyDFWNHRTXLMUYTE-UHFFFAOYSA-N
MW175.64 g/mol
LogP1.54
Rot. Bonds2

About 2-amino-1-(4-chlorothiophen-2-yl)ethanone

2-amino-1-(4-chlorothiophen-2-yl)ethanone (PubChem CID 57455763) has the molecular formula C6H6ClNOS and a molecular weight of 175.64 g/mol. Its IUPAC name is 2-amino-1-(4-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-chlorothiophen-2-yl)ethanone
PubChem CID57455763
Molecular FormulaC6H6ClNOS
Molecular Weight175.64 g/mol
Exact Mass174.99
IUPAC Name2-amino-1-(4-chlorothiophen-2-yl)ethanone
SMILESNCC(=O)c1cc(Cl)cs1
InChIInChI=1S/C6H6ClNOS/c7-4-1-6(10-3-4)5(9)2-8/h1,3H,2,8H2
InChIKeyDFWNHRTXLMUYTE-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.64
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chlorothiophen-2-yl)ethanone?
The IUPAC name of 2-amino-1-(4-chlorothiophen-2-yl)ethanone (CID 57455763) is 2-amino-1-(4-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-chlorothiophen-2-yl)ethanone is NCC(=O)c1cc(Cl)cs1.
What is the InChIKey of 2-amino-1-(4-chlorothiophen-2-yl)ethanone?
The InChIKey is DFWNHRTXLMUYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNOS/c7-4-1-6(10-3-4)5(9)2-8/h1,3H,2,8H2.
What are the key properties of 2-amino-1-(4-chlorothiophen-2-yl)ethanone?
2-amino-1-(4-chlorothiophen-2-yl)ethanone has a molecular weight of 175.64 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 57455763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).