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

C14H14F4N2S — CID 115979280

IUPACN-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H14F4N2S/c1-2-20-13(6-10-7-19-8-21-10)11-5-9(14(16,17)18)3-4-12(11)15/h3-5,7-8,13,20H,2,6H2,1H3
InChIKeyNUPHTQWXCWZGOM-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.19
Rot. Bonds5

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

N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 115979280) has the molecular formula C14H14F4N2S and a molecular weight of 318.34 g/mol. Its IUPAC name is N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID115979280
Molecular FormulaC14H14F4N2S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC NameN-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCNC(Cc1cncs1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H14F4N2S/c1-2-20-13(6-10-7-19-8-21-10)11-5-9(14(16,17)18)3-4-12(11)15/h3-5,7-8,13,20H,2,6H2,1H3
InChIKeyNUPHTQWXCWZGOM-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114894876
N-[1-(2-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030418
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114886134
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105030333
1-(2,4-dibromophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107946640
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106858475
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 107968948
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114887192
N-ethyl-1-(5-methylfuran-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030608
N-ethyl-1-(2-methoxy-4-methylphenyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106792380
N-ethyl-1-(thiadiazol-5-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177958
1-(4-ethoxyphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030338

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine (CID 115979280) is N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine is CCNC(Cc1cncs1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is NUPHTQWXCWZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2S/c1-2-20-13(6-10-7-19-8-21-10)11-5-9(14(16,17)18)3-4-12(11)15/h3-5,7-8,13,20H,2,6H2,1H3.
What are the key properties of N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine?
N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 318.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115979280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).