4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine

C19H15FN2S — CID 118903746

IUPAC4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine
SMILESNCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H15FN2S/c20-16-6-4-15(5-7-16)19-18(14-8-11-22-12-9-14)13-17(23-19)3-1-2-10-21/h4-9,11-13H,2,10,21H2
InChIKeyWIHXOZFYRJPOCW-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.32
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine

4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine (PubChem CID 118903746) has the molecular formula C19H15FN2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine
PubChem CID118903746
Molecular FormulaC19H15FN2S
Molecular Weight322.41 g/mol
Exact Mass322.09
IUPAC Name4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine
SMILESNCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H15FN2S/c20-16-6-4-15(5-7-16)19-18(14-8-11-22-12-9-14)13-17(23-19)3-1-2-10-21/h4-9,11-13H,2,10,21H2
InChIKeyWIHXOZFYRJPOCW-UHFFFAOYSA-N
XLogP4.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine (CID 118903746) is 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine is NCCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine?
The InChIKey is WIHXOZFYRJPOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2S/c20-16-6-4-15(5-7-16)19-18(14-8-11-22-12-9-14)13-17(23-19)3-1-2-10-21/h4-9,11-13H,2,10,21H2.
What are the key properties of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine?
4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine has a molecular weight of 322.41 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-amine is sourced from PubChem (CID 118903746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).