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

C12H11F3N2S — CID 64988572

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1cccc(C(F)(F)F)c1)c1nccs1
InChIInChI=1S/C12H11F3N2S/c1-8(11-16-5-6-18-11)17-10-4-2-3-9(7-10)12(13,14)15/h2-8,17H,1H3
InChIKeyIFARKAGBCQJHRR-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.34
Rot. Bonds3

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

N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 64988572) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
PubChem CID64988572
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1cccc(C(F)(F)F)c1)c1nccs1
InChIInChI=1S/C12H11F3N2S/c1-8(11-16-5-6-18-11)17-10-4-2-3-9(7-10)12(13,14)15/h2-8,17H,1H3
InChIKeyIFARKAGBCQJHRR-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenoxy-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64990616
3-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993160
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
2-chloro-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 97357874
3-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993449
N-[1-(5-methylthiophen-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 43095809
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 82539157
pyrrolidin-1-yl-[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methanone
CID 75498371
N-(1-thiophen-2-ylpropyl)-3-(trifluoromethyl)aniline
CID 43103908
tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate
CID 103936431
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline (CID 64988572) is N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline is CC(Nc1cccc(C(F)(F)F)c1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is IFARKAGBCQJHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-8(11-16-5-6-18-11)17-10-4-2-3-9(7-10)12(13,14)15/h2-8,17H,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline?
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 272.30 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 64988572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).