N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine

C12H19F3N2OS — CID 103150102

IUPACN-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(CCOCC(F)(F)F)nc1C
InChIInChI=1S/C12H19F3N2OS/c1-4-16-8(2)11-9(3)17-10(19-11)5-6-18-7-12(13,14)15/h8,16H,4-7H2,1-3H3
InChIKeyFOPLLOBEUCZVGD-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.24
Rot. Bonds7

About N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 103150102) has the molecular formula C12H19F3N2OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID103150102
Molecular FormulaC12H19F3N2OS
Molecular Weight296.36 g/mol
Exact Mass296.12
IUPAC NameN-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(CCOCC(F)(F)F)nc1C
InChIInChI=1S/C12H19F3N2OS/c1-4-16-8(2)11-9(3)17-10(19-11)5-6-18-7-12(13,14)15/h8,16H,4-7H2,1-3H3
InChIKeyFOPLLOBEUCZVGD-UHFFFAOYSA-N
XLogP3.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.24
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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Related Compounds

[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-N-methylethanamine
CID 72126106
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
CID 51983424
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 51983426
N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
CID 99629512
4-Methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69594397
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377698
1-[4-Methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377699
2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378208
(S)-2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine (CID 103150102) is N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1sc(CCOCC(F)(F)F)nc1C.
What is the InChIKey of N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is FOPLLOBEUCZVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2OS/c1-4-16-8(2)11-9(3)17-10(19-11)5-6-18-7-12(13,14)15/h8,16H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 296.36 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 103150102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).