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

C7H9F3N2OS — CID 135377924

IUPAC(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
SMILESC[C@H](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/t4-/m0/s1
InChIKeyZFQIZATUOGJRBF-BYPYZUCNSA-N
MW226.22 g/mol
LogP2.10
Rot. Bonds3

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

(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine (PubChem CID 135377924) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is (1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
PubChem CID135377924
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
SMILESC[C@H](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/t4-/m0/s1
InChIKeyZFQIZATUOGJRBF-BYPYZUCNSA-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 (1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of (1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine (CID 135377924) is (1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine is C[C@H](N)c1cnc(OCC(F)(F)F)s1.
What is the InChIKey of (1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZFQIZATUOGJRBF-BYPYZUCNSA-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/t4-/m0/s1.
What are the key properties of (1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine?
(1S)-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 (1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 135377924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).