N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine

C11H17F3N2OS — CID 103150138

IUPACN-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2OS/c1-3-15-8(2)9-6-18-10(16-9)4-5-17-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyAVQWPXYHOKEXRN-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.93
Rot. Bonds7

About N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine

N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 103150138) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID103150138
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC NameN-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C11H17F3N2OS/c1-3-15-8(2)9-6-18-10(16-9)4-5-17-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3
InChIKeyAVQWPXYHOKEXRN-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine (CID 103150138) is N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine is CCNC(C)c1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is AVQWPXYHOKEXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-3-15-8(2)9-6-18-10(16-9)4-5-17-7-11(12,13)14/h6,8,15H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine?
N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 282.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 103150138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).