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

C8H11F3N2OS — CID 103476044

IUPAC1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-5(12)6-2-13-7(15-6)3-14-4-8(9,10)11/h2,5H,3-4,12H2,1H3
InChIKeyVHFZUNMGDJNZDJ-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.24
Rot. Bonds4

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

1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 103476044) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID103476044
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(COCC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2OS/c1-5(12)6-2-13-7(15-6)3-14-4-8(9,10)11/h2,5H,3-4,12H2,1H3
InChIKeyVHFZUNMGDJNZDJ-UHFFFAOYSA-N
XLogP2.24
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 103476044) is 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(COCC(F)(F)F)s1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is VHFZUNMGDJNZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c1-5(12)6-2-13-7(15-6)3-14-4-8(9,10)11/h2,5H,3-4,12H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 240.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 103476044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).