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

C8H11F3N2OS — CID 103864910

IUPAC2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1nccs1)CC(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)6-13(2-3-14)5-7-12-1-4-15-7/h1,4,14H,2-3,5-6H2
InChIKeyCPKBEYZLFXIMMG-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.50
Rot. Bonds5

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

2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103864910) has the molecular formula C8H11F3N2OS and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103864910
Molecular FormulaC8H11F3N2OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC Name2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(Cc1nccs1)CC(F)(F)F
InChIInChI=1S/C8H11F3N2OS/c9-8(10,11)6-13(2-3-14)5-7-12-1-4-15-7/h1,4,14H,2-3,5-6H2
InChIKeyCPKBEYZLFXIMMG-UHFFFAOYSA-N
XLogP1.50
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
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-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (CID 103864910) is 2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(Cc1nccs1)CC(F)(F)F.
What is the InChIKey of 2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CPKBEYZLFXIMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS/c9-8(10,11)6-13(2-3-14)5-7-12-1-4-15-7/h1,4,14H,2-3,5-6H2.
What are the key properties of 2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[1,3-thiazol-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 240.25 g/mol, XLogP of 1.50, 5 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-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103864910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).