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

C15H17F3N2S — CID 61060540

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCc1nc(C)c(C(C)NCc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H17F3N2S/c1-9(14-10(2)20-11(3)21-14)19-8-12-5-4-6-13(7-12)15(16,17)18/h4-7,9,19H,8H2,1-3H3
InChIKeyRNQHMRBLNIOWPG-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.63
Rot. Bonds4

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 61060540) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID61060540
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCc1nc(C)c(C(C)NCc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H17F3N2S/c1-9(14-10(2)20-11(3)21-14)19-8-12-5-4-6-13(7-12)15(16,17)18/h4-7,9,19H,8H2,1-3H3
InChIKeyRNQHMRBLNIOWPG-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115526384
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43768791
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61061113
2-[1-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]phenol
CID 43192351
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol
CID 61061276
(1S)-1-(2-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28530583
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55149649
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
CID 61069028
1-iodo-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009985

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 61060540) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is Cc1nc(C)c(C(C)NCc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is RNQHMRBLNIOWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-9(14-10(2)20-11(3)21-14)19-8-12-5-4-6-13(7-12)15(16,17)18/h4-7,9,19H,8H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 314.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 61060540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).