1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one

C14H14N2O2S — CID 58228779

IUPAC1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one
SMILESNCC(=O)c1ccc(C(=O)CCc2ccccn2)s1
InChIInChI=1S/C14H14N2O2S/c15-9-12(18)14-7-6-13(19-14)11(17)5-4-10-3-1-2-8-16-10/h1-3,6-8H,4-5,9,15H2
InChIKeySQFPFOFJAMTLLO-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.10
Rot. Bonds6

About 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one

1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 58228779) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID58228779
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one
SMILESNCC(=O)c1ccc(C(=O)CCc2ccccn2)s1
InChIInChI=1S/C14H14N2O2S/c15-9-12(18)14-7-6-13(19-14)11(17)5-4-10-3-1-2-8-16-10/h1-3,6-8H,4-5,9,15H2
InChIKeySQFPFOFJAMTLLO-UHFFFAOYSA-N
XLogP2.10
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-tert-butylthiophen-2-yl)-3-pyridin-2-ylpropan-1-one
CID 58228727
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one
CID 62030031
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 105095584
1-(4-propan-2-ylphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097579
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228072
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
CID 105089327
4-ethyl-1-pyridin-2-ylhexan-3-one
CID 105117455

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one (CID 58228779) is 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one is NCC(=O)c1ccc(C(=O)CCc2ccccn2)s1.
What is the InChIKey of 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is SQFPFOFJAMTLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c15-9-12(18)14-7-6-13(19-14)11(17)5-4-10-3-1-2-8-16-10/h1-3,6-8H,4-5,9,15H2.
What are the key properties of 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one?
1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 274.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminoacetyl)thiophen-2-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 58228779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).