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

C13H13F3N2S — CID 62071321

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCc1ncsc1CCNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-9-12(19-8-18-9)6-7-17-11-5-3-2-4-10(11)13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyWYJVGPYEFZHFCO-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.12
Rot. Bonds4

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

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline (PubChem CID 62071321) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
PubChem CID62071321
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
SMILESCc1ncsc1CCNc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-9-12(19-8-18-9)6-7-17-11-5-3-2-4-10(11)13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyWYJVGPYEFZHFCO-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 55170334
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 131917349
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 62070801
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62069570
2,4,5-trichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62072016
2,3,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809050
3,4-dichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62071151
5-fluoro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzonitrile
CID 82016405
N-(2-tert-butylphenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110858418
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
CID 103993489
2,2,3,3-tetrafluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 106291949

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline (CID 62071321) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline is Cc1ncsc1CCNc1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline?
The InChIKey is WYJVGPYEFZHFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-9-12(19-8-18-9)6-7-17-11-5-3-2-4-10(11)13(14,15)16/h2-5,8,17H,6-7H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline has a molecular weight of 286.32 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 62071321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).