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

C14H14F4N2S — CID 104841047

IUPAC1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2F)sc1CNC
InChIInChI=1S/C14H14F4N2S/c1-3-10-11(7-19-2)21-13(20-10)8-5-4-6-9(12(8)15)14(16,17)18/h4-6,19H,3,7H2,1-2H3
InChIKeyBBAAMNRMJXKBGG-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.25
Rot. Bonds4

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

1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 104841047) has the molecular formula C14H14F4N2S and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID104841047
Molecular FormulaC14H14F4N2S
Molecular Weight318.34 g/mol
Exact Mass318.08
IUPAC Name1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2F)sc1CNC
InChIInChI=1S/C14H14F4N2S/c1-3-10-11(7-19-2)21-13(20-10)8-5-4-6-9(12(8)15)14(16,17)18/h4-6,19H,3,7H2,1-2H3
InChIKeyBBAAMNRMJXKBGG-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 107932020
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
N-[[4-ethyl-2-(2-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 113459625
1-[2-(3,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841167
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 104841101
1-[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841103
N-methyl-1-[4-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114363499
1-[4-ethyl-2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106793145
N-[[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82428213
N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841335
N-[[4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107935527
1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82432707

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 104841047) is 1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(-c2cccc(C(F)(F)F)c2F)sc1CNC.
What is the InChIKey of 1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is BBAAMNRMJXKBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2S/c1-3-10-11(7-19-2)21-13(20-10)8-5-4-6-9(12(8)15)14(16,17)18/h4-6,19H,3,7H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 318.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 104841047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).