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

C9H13F3N2S — CID 62651183

IUPACN-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-3-13-6(2)7-5-14-8(15-7)4-9(10,11)12/h5-6,13H,3-4H2,1-2H3
InChIKeyDOKSWHVOHFURHD-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.92
Rot. Bonds4

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

N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62651183) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62651183
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC NameN-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(CC(F)(F)F)s1
InChIInChI=1S/C9H13F3N2S/c1-3-13-6(2)7-5-14-8(15-7)4-9(10,11)12/h5-6,13H,3-4H2,1-2H3
InChIKeyDOKSWHVOHFURHD-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
CID 79964670
1-[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102641
N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651177
N-ethyl-5-[1-(ethylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750257
N-ethyl-5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62753039
1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62904548
1-[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 63024387
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62653744
5-[1-(ethylamino)ethyl]-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 55112349
1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102445
N-ethyl-2,2,2-trifluoro-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785865
5-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 62754150

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine (CID 62651183) is N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(CC(F)(F)F)s1.
What is the InChIKey of N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is DOKSWHVOHFURHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-3-13-6(2)7-5-14-8(15-7)4-9(10,11)12/h5-6,13H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 238.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62651183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).