1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine

C8H11F3N2S — CID 79964584

IUPAC1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-5(12)6-4-13-7(14-6)2-3-8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeyOMXCFUPQCLNNBG-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine

1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79964584) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79964584
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(CCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-5(12)6-4-13-7(14-6)2-3-8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeyOMXCFUPQCLNNBG-UHFFFAOYSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine (CID 79964584) is 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(CCC(F)(F)F)s1.
What is the InChIKey of 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is OMXCFUPQCLNNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-5(12)6-4-13-7(14-6)2-3-8(9,10)11/h4-5H,2-3,12H2,1H3.
What are the key properties of 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79964584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).