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

C13H14F2N2S — CID 55174057

IUPAC1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCC(NCCc1nccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2S/c1-9(10-2-3-11(14)12(15)8-10)16-5-4-13-17-6-7-18-13/h2-3,6-9,16H,4-5H2,1H3
InChIKeyUFDPDOIGHYIJQP-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.31
Rot. Bonds5

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

1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 55174057) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID55174057
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCC(NCCc1nccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H14F2N2S/c1-9(10-2-3-11(14)12(15)8-10)16-5-4-13-17-6-7-18-13/h2-3,6-9,16H,4-5H2,1H3
InChIKeyUFDPDOIGHYIJQP-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine (CID 55174057) is 1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is CC(NCCc1nccs1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is UFDPDOIGHYIJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-9(10-2-3-11(14)12(15)8-10)16-5-4-13-17-6-7-18-13/h2-3,6-9,16H,4-5H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine?
1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 268.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 55174057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).