N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C8H11F3N2S — CID 61392600

IUPACN-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-2-12-4-6-5-13-7(14-6)3-8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyYCDLGNJSNUBKRT-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.36
Rot. Bonds4

About N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 61392600) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID61392600
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC NameN-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-2-12-4-6-5-13-7(14-6)3-8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyYCDLGNJSNUBKRT-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 61392600) is N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1cnc(CC(F)(F)F)s1.
What is the InChIKey of N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is YCDLGNJSNUBKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-2-12-4-6-5-13-7(14-6)3-8(9,10)11/h5,12H,2-4H2,1H3.
What are the key properties of N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 61392600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).