N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

C8H11F3N2S — CID 168898781

IUPACN-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(c1ncc(C)s1)C(F)(F)F
InChIInChI=1S/C8H11F3N2S/c1-3-12-6(8(9,10)11)7-13-4-5(2)14-7/h4,6,12H,3H2,1-2H3
InChIKeyOCHIZWHBVQCWKK-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.66
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine

N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 168898781) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID168898781
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC NameN-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCNC(c1ncc(C)s1)C(F)(F)F
InChIInChI=1S/C8H11F3N2S/c1-3-12-6(8(9,10)11)7-13-4-5(2)14-7/h4,6,12H,3H2,1-2H3
InChIKeyOCHIZWHBVQCWKK-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 168898781) is N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is CCNC(c1ncc(C)s1)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is OCHIZWHBVQCWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-3-12-6(8(9,10)11)7-13-4-5(2)14-7/h4,6,12H,3H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 168898781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).