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

C15H17F3N2S — CID 104841335

IUPACN-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cccc(C(F)(F)F)c2)nc1CC
InChIInChI=1S/C15H17F3N2S/c1-3-12-13(9-19-4-2)21-14(20-12)10-6-5-7-11(8-10)15(16,17)18/h5-8,19H,3-4,9H2,1-2H3
InChIKeyZVSGGUUCYBUAMM-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.50
Rot. Bonds5

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

N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 104841335) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID104841335
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cccc(C(F)(F)F)c2)nc1CC
InChIInChI=1S/C15H17F3N2S/c1-3-12-13(9-19-4-2)21-14(20-12)10-6-5-7-11(8-10)15(16,17)18/h5-8,19H,3-4,9H2,1-2H3
InChIKeyZVSGGUUCYBUAMM-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine (CID 104841335) is N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2cccc(C(F)(F)F)c2)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is ZVSGGUUCYBUAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-3-12-13(9-19-4-2)21-14(20-12)10-6-5-7-11(8-10)15(16,17)18/h5-8,19H,3-4,9H2,1-2H3.
What are the key properties of N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 314.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 104841335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).