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

C15H17F3N2S — CID 115726933

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C15H17F3N2S/c1-9-8-19-14(21-9)11(3)20-10(2)12-6-4-5-7-13(12)15(16,17)18/h4-8,10-11,20H,1-3H3
InChIKeyLYVTYMVMLAKNSO-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.88
Rot. Bonds4

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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 115726933) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID115726933
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C15H17F3N2S/c1-9-8-19-14(21-9)11(3)20-10(2)12-6-4-5-7-13(12)15(16,17)18/h4-8,10-11,20H,1-3H3
InChIKeyLYVTYMVMLAKNSO-UHFFFAOYSA-N
XLogP4.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 103924850
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726973
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115726994
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630
N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103905124
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 112700001
1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 112700537
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726969
N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 61334029

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 115726933) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is Cc1cnc(C(C)NC(C)c2ccccc2C(F)(F)F)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is LYVTYMVMLAKNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-9-8-19-14(21-9)11(3)20-10(2)12-6-4-5-7-13(12)15(16,17)18/h4-8,10-11,20H,1-3H3.
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 314.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 115726933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).