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

C12H11F3N2S — CID 82539157

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCCc2nccs2)c1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)9-2-1-3-10(8-9)16-5-4-11-17-6-7-18-11/h1-3,6-8,16H,4-5H2
InChIKeyRHFZPKPJWCQQLW-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.82
Rot. Bonds4

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

N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 82539157) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
PubChem CID82539157
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCCc2nccs2)c1
InChIInChI=1S/C12H11F3N2S/c13-12(14,15)9-2-1-3-10(8-9)16-5-4-11-17-6-7-18-11/h1-3,6-8,16H,4-5H2
InChIKeyRHFZPKPJWCQQLW-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328284
1-N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 55218592
3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 82539174
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 62698775
N-[1-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 64988572
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79824982
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 79824667
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
2-amino-4-[2-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 79466616

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline (CID 82539157) is N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NCCc2nccs2)c1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is RHFZPKPJWCQQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c13-12(14,15)9-2-1-3-10(8-9)16-5-4-11-17-6-7-18-11/h1-3,6-8,16H,4-5H2.
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline?
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 272.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 82539157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).