2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol

C7H9F3N2OS — CID 107484473

IUPAC2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nccs1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)5-12(2-3-13)6-11-1-4-14-6/h1,4,13H,2-3,5H2
InChIKeyBEJUIIXRKDLHCE-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.50
Rot. Bonds4

About 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol

2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107484473) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107484473
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)c1nccs1
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)5-12(2-3-13)6-11-1-4-14-6/h1,4,13H,2-3,5H2
InChIKeyBEJUIIXRKDLHCE-UHFFFAOYSA-N
XLogP1.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 107484473) is 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)c1nccs1.
What is the InChIKey of 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is BEJUIIXRKDLHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)5-12(2-3-13)6-11-1-4-14-6/h1,4,13H,2-3,5H2.
What are the key properties of 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol?
2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 226.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107484473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).