1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine

C12H13FN2S — CID 79722432

IUPAC1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1ccc(F)cn1
InChIInChI=1S/C12H13FN2S/c13-9-3-6-12(15-8-9)11(14)5-4-10-2-1-7-16-10/h1-3,6-8,11H,4-5,14H2
InChIKeyGQYUIGBRIRZMGG-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.91
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine

1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 79722432) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID79722432
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
SMILESNC(CCc1cccs1)c1ccc(F)cn1
InChIInChI=1S/C12H13FN2S/c13-9-3-6-12(15-8-9)11(14)5-4-10-2-1-7-16-10/h1-3,6-8,11H,4-5,14H2
InChIKeyGQYUIGBRIRZMGG-UHFFFAOYSA-N
XLogP2.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79712986
1-(2-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63776013
1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 63840233
1-(5-fluoro-2-pyridinyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 83126443
1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150214
1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81144341
N-[1-(5-fluoro-2-pyridinyl)-2-thiophen-2-ylethyl]propan-2-amine
CID 79712298
1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine
CID 79721767
1-(6-fluoro-1-benzothiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115860911
1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 83125999
6-[(1R)-1-aminopropyl]-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 103937486
1-(5-fluoro-2-pyridinyl)hex-4-yn-1-amine
CID 104806764

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine (CID 79722432) is 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine is NC(CCc1cccs1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is GQYUIGBRIRZMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-9-3-6-12(15-8-9)11(14)5-4-10-2-1-7-16-10/h1-3,6-8,11H,4-5,14H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine?
1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 236.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 79722432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).