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

C8H11F3N2S — CID 62652275

IUPACN-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-5(12-2)6-4-13-7(14-6)3-8(9,10)11/h4-5,12H,3H2,1-2H3
InChIKeyQWGLTXPJMDWOQH-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.53
Rot. Bonds3

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

N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62652275) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62652275
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC NameN-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-5(12-2)6-4-13-7(14-6)3-8(9,10)11/h4-5,12H,3H2,1-2H3
InChIKeyQWGLTXPJMDWOQH-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (CID 62652275) is N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(CC(F)(F)F)s1.
What is the InChIKey of N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is QWGLTXPJMDWOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-5(12-2)6-4-13-7(14-6)3-8(9,10)11/h4-5,12H,3H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62652275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).