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

C14H15F3N2OS — CID 63279960

IUPAC1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCNCCc1cccs1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)11-3-4-13(20)19(10-11)8-7-18-6-5-12-2-1-9-21-12/h1-4,9-10,18H,5-8H2
InChIKeyOGMHROVZYNQQNR-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.76
Rot. Bonds6

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

1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279960) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279960
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1ccc(C(F)(F)F)cn1CCNCCc1cccs1
InChIInChI=1S/C14H15F3N2OS/c15-14(16,17)11-3-4-13(20)19(10-11)8-7-18-6-5-12-2-1-9-21-12/h1-4,9-10,18H,5-8H2
InChIKeyOGMHROVZYNQQNR-UHFFFAOYSA-N
XLogP2.76
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one 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-[2-(2-thiophen-3-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280215
1-[2-(1-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279959
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
1-[2-(cyclopentylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280128
1-(2-bromoethyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279616
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
1-[2-(oxolan-2-ylmethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63280433
1-[3-(methylamino)propyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279700
1-(3-bromopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 63279615
1-[2-(3-chloroanilino)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279871
N-(bromomethyl)-2-thiophen-2-ylethanamine
CID 115262160
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-thiophen-2-ylethanamine
CID 66369855

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one (CID 63279960) is 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is O=c1ccc(C(F)(F)F)cn1CCNCCc1cccs1.
What is the InChIKey of 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is OGMHROVZYNQQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c15-14(16,17)11-3-4-13(20)19(10-11)8-7-18-6-5-12-2-1-9-21-12/h1-4,9-10,18H,5-8H2.
What are the key properties of 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 316.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-thiophen-2-ylethylamino)ethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).