1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

C14H15F3N2OS — CID 63279959

IUPAC1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC(NCCn1cc(C(F)(F)F)ccc1=O)c1cccs1
InChIInChI=1S/C14H15F3N2OS/c1-10(12-3-2-8-21-12)18-6-7-19-9-11(14(15,16)17)4-5-13(19)20/h2-5,8-10,18H,6-7H2,1H3
InChIKeyJZKAZHGUSZNVNO-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279959) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279959
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCC(NCCn1cc(C(F)(F)F)ccc1=O)c1cccs1
InChIInChI=1S/C14H15F3N2OS/c1-10(12-3-2-8-21-12)18-6-7-19-9-11(14(15,16)17)4-5-13(19)20/h2-5,8-10,18H,6-7H2,1H3
InChIKeyJZKAZHGUSZNVNO-UHFFFAOYSA-N
XLogP3.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279960
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279700
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
5-[2-(1-thiophen-2-ylethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912125
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55402687
1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
CID 66276843
1-[4-(methylamino)pentyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279704
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
CID 78986308
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 102746104
1-[2-(2-thiophen-3-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280215
N-[2-(3-chloroindol-1-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62804293

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 63279959) is 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is CC(NCCn1cc(C(F)(F)F)ccc1=O)c1cccs1.
What is the InChIKey of 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JZKAZHGUSZNVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-10(12-3-2-8-21-12)18-6-7-19-9-11(14(15,16)17)4-5-13(19)20/h2-5,8-10,18H,6-7H2,1H3.
What are the key properties of 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 316.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).