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

C12H13FN2S — CID 112586080

IUPAC1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine
SMILESCCC(N)(c1ccsc1)c1ccc(F)cn1
InChIInChI=1S/C12H13FN2S/c1-2-12(14,9-5-6-16-8-9)11-4-3-10(13)7-15-11/h3-8H,2,14H2,1H3
InChIKeyGTTKMVFBLLIVII-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.89
Rot. Bonds3

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

1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine (PubChem CID 112586080) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine
PubChem CID112586080
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine
SMILESCCC(N)(c1ccsc1)c1ccc(F)cn1
InChIInChI=1S/C12H13FN2S/c1-2-12(14,9-5-6-16-8-9)11-4-3-10(13)7-15-11/h3-8H,2,14H2,1H3
InChIKeyGTTKMVFBLLIVII-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine (CID 112586080) is 1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine is CCC(N)(c1ccsc1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine?
The InChIKey is GTTKMVFBLLIVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-2-12(14,9-5-6-16-8-9)11-4-3-10(13)7-15-11/h3-8H,2,14H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine?
1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine has a molecular weight of 236.32 g/mol, XLogP of 2.89, 3 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)-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 112586080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).