N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline

C14H15F3N2S — CID 43108669

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCc1nc(C(C)Nc2ccccc2C(F)(F)F)c(C)s1
InChIInChI=1S/C14H15F3N2S/c1-8(13-9(2)20-10(3)19-13)18-12-7-5-4-6-11(12)14(15,16)17/h4-8,18H,1-3H3
InChIKeySCXJCLBENMRIET-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.95
Rot. Bonds3

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 43108669) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID43108669
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCc1nc(C(C)Nc2ccccc2C(F)(F)F)c(C)s1
InChIInChI=1S/C14H15F3N2S/c1-8(13-9(2)20-10(3)19-13)18-12-7-5-4-6-11(12)14(15,16)17/h4-8,18H,1-3H3
InChIKeySCXJCLBENMRIET-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-propan-2-ylaniline
CID 43099408
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)aniline
CID 43093249
2-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-fluoroaniline
CID 43119299
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-ethyl-6-methylaniline
CID 54862115
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-iodoaniline
CID 43124277
2-tert-butyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63751782
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-ethynylaniline
CID 43200554
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 79241805
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 26722635
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 56722063
N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43758444
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yloxyaniline
CID 43123040

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline (CID 43108669) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline is Cc1nc(C(C)Nc2ccccc2C(F)(F)F)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is SCXJCLBENMRIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-8(13-9(2)20-10(3)19-13)18-12-7-5-4-6-11(12)14(15,16)17/h4-8,18H,1-3H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 300.35 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43108669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).