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

C7H9F3N2OS — CID 58629032

IUPAC1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c1-4(11)5-2-12-6(14-5)13-3-7(8,9)10/h2,4H,3,11H2,1H3
InChIKeyZFQIZATUOGJRBF-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.10
Rot. Bonds3

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

1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine (PubChem CID 58629032) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
PubChem CID58629032
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(OCC(F)(F)F)s1
InChIInChI=1S/C7H9F3N2OS/c1-4(11)5-2-12-6(14-5)13-3-7(8,9)10/h2,4H,3,11H2,1H3
InChIKeyZFQIZATUOGJRBF-UHFFFAOYSA-N
XLogP2.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.10
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-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine (CID 58629032) is 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(OCC(F)(F)F)s1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZFQIZATUOGJRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c1-4(11)5-2-12-6(14-5)13-3-7(8,9)10/h2,4H,3,11H2,1H3.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 226.22 g/mol, XLogP of 2.10, 3 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-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 58629032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).