N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine

C13H15FN2S — CID 46784277

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCCc1ccc(F)cc1)c1cscn1
InChIInChI=1S/C13H15FN2S/c1-10(13-8-17-9-16-13)15-7-6-11-2-4-12(14)5-3-11/h2-5,8-10,15H,6-7H2,1H3
InChIKeyXIBUQAULCBIVNE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.18
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine

N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 46784277) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID46784277
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCC(NCCc1ccc(F)cc1)c1cscn1
InChIInChI=1S/C13H15FN2S/c1-10(13-8-17-9-16-13)15-7-6-11-2-4-12(14)5-3-11/h2-5,8-10,15H,6-7H2,1H3
InChIKeyXIBUQAULCBIVNE-UHFFFAOYSA-N
XLogP3.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 46784277) is N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is CC(NCCc1ccc(F)cc1)c1cscn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is XIBUQAULCBIVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-10(13-8-17-9-16-13)15-7-6-11-2-4-12(14)5-3-11/h2-5,8-10,15H,6-7H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 250.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 46784277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).