N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

C8H11F3N2S — CID 106784071

IUPACN-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-2-12-4-3-6-5-13-7(14-6)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyGXMVFEQDOXUMCZ-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.31
Rot. Bonds4

About N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine

N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 106784071) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID106784071
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC NameN-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNCCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C8H11F3N2S/c1-2-12-4-3-6-5-13-7(14-6)8(9,10)11/h5,12H,2-4H2,1H3
InChIKeyGXMVFEQDOXUMCZ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
[(5-Ethyl-1,3-thiazol-2-yl)methyl](methyl)amine
CID 62653717
2-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274393
(5-Ethyl-1,3-thiazol-2-yl)methanamine
CID 24274391
1-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 24278428
2-(2-Methyl-1,3-thiazol-5-yl)ethan-1-amine
CID 53719096
1-(5-Ethyl-1,3-thiazol-2-yl)ethan-1-amine
CID 24274392
2-(2-Chloro-1,3-thiazol-5-yl)ethan-1-amine hydrochloride
CID 75481398
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
2-(1,3-Thiazol-5-yl)ethan-1-amine
CID 28948322
4-[[(1S)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]amino]butanenitrile
CID 97877901

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine (CID 106784071) is N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is CCNCCc1cnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is GXMVFEQDOXUMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-2-12-4-3-6-5-13-7(14-6)8(9,10)11/h5,12H,2-4H2,1H3.
What are the key properties of N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 224.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 106784071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).