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

C₈H₁₁F₃N₂S — CID 168898781

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 Name: N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
• PubChem CID: 168898781
• Molecular Formula: C₈H₁₁F₃N₂S
• Molecular Weight: 224.25 g/mol
• Exact Mass: 224.06
• IUPAC Name: N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
• SMILES: CCNC(c1ncc(C)s1)C(F)(F)F
• InChI: InChI=1S/C8H11F3N2S/c1-3-12-6(8(9,10)11)7-13-4-5(2)14-7/h4,6,12H,3H2,1-2H3
• InChIKey: OCHIZWHBVQCWKK-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.25
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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).

Sources

• PubChem CID 168898781 — identifiers, structure, computed properties (public domain)

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