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

C13H13F3N2S — CID 105030333

IUPACN-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cncs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S/c1-17-12(6-11-7-18-8-19-11)9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8,12,17H,6H2,1H3
InChIKeyCZOPTTUQYVDOAZ-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.67
Rot. Bonds4

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

N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 105030333) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID105030333
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cncs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S/c1-17-12(6-11-7-18-8-19-11)9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8,12,17H,6H2,1H3
InChIKeyCZOPTTUQYVDOAZ-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642697
1-(4-iodophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030468
1-(4-ethylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642771
N-methyl-2-(1,3-thiazol-5-yl)-1-thiophen-3-ylethanamine
CID 112642765
2-(5-chlorothiophen-2-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115841423
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106755782
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
N-ethyl-1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-5-yl)ethanamine
CID 115979280
[1-(4-iodophenyl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105332133
N-methyl-2-(1,3-thiazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105030553
1-(3-chloro-5-methylphenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030810
1-(5-chloro-2-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 114886134

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 105030333) is N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1cncs1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is CZOPTTUQYVDOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-17-12(6-11-7-18-8-19-11)9-2-4-10(5-3-9)13(14,15)16/h2-5,7-8,12,17H,6H2,1H3.
What are the key properties of N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 105030333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).