N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline

C17H15FN2S — CID 83119202

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline
SMILESCC(Nc1ccccc1-c1cccs1)c1ccc(F)cn1
InChIInChI=1S/C17H15FN2S/c1-12(15-9-8-13(18)11-19-15)20-16-6-3-2-5-14(16)17-7-4-10-21-17/h2-12,20H,1H3
InChIKeyLGPVPTSFZSKEDG-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.12
Rot. Bonds4

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline (PubChem CID 83119202) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline
PubChem CID83119202
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline
SMILESCC(Nc1ccccc1-c1cccs1)c1ccc(F)cn1
InChIInChI=1S/C17H15FN2S/c1-12(15-9-8-13(18)11-19-15)20-16-6-3-2-5-14(16)17-7-4-10-21-17/h2-12,20H,1H3
InChIKeyLGPVPTSFZSKEDG-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline
CID 43724564
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118159
N-[2-[1-(5-fluoro-2-pyridinyl)ethylamino]phenyl]methanesulfonamide
CID 83119346
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 83117522
2-(2-thiophen-2-ylanilino)propanoic acid
CID 66173526
4-bromo-2,3-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 107787554
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-(1,2,4-triazol-1-yl)aniline
CID 83119087
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-thiophen-2-ylaniline
CID 43724573
N-heptan-4-yl-2-thiophen-2-ylaniline
CID 43724523
2,4-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118233
2,5-dichloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117985

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline (CID 83119202) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline is CC(Nc1ccccc1-c1cccs1)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline?
The InChIKey is LGPVPTSFZSKEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c1-12(15-9-8-13(18)11-19-15)20-16-6-3-2-5-14(16)17-7-4-10-21-17/h2-12,20H,1H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline has a molecular weight of 298.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-thiophen-2-ylaniline is sourced from PubChem (CID 83119202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).