3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine

C19H17F3N2S — CID 45035650

IUPAC3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
SMILESC/N=c1\sc(-c2cccc(C(F)(F)F)c2)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H17F3N2S/c1-13-17(15-9-6-10-16(11-15)19(20,21)22)25-18(23-2)24(13)12-14-7-4-3-5-8-14/h3-11H,12H2,1-2H3/b23-18-
InChIKeyLGOFNWIQWORCGO-NKFKGCMQSA-N
MW362.42 g/mol
LogP5.12
Rot. Bonds3

About 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine

3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine (PubChem CID 45035650) has the molecular formula C19H17F3N2S and a molecular weight of 362.42 g/mol. Its IUPAC name is 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
PubChem CID45035650
Molecular FormulaC19H17F3N2S
Molecular Weight362.42 g/mol
Exact Mass362.11
IUPAC Name3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine
SMILESC/N=c1\sc(-c2cccc(C(F)(F)F)c2)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H17F3N2S/c1-13-17(15-9-6-10-16(11-15)19(20,21)22)25-18(23-2)24(13)12-14-7-4-3-5-8-14/h3-11H,12H2,1-2H3/b23-18-
InChIKeyLGOFNWIQWORCGO-NKFKGCMQSA-N
XLogP5.12
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N,N-dibenzyl-N'-prop-2-enylcarbamimidothioate;hydrochloride
CID 20407621
ethyl N,N-dibenzyl-N'-prop-2-enylcarbamimidothioate;hydroiodide
CID 44582558
(6R)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 132578542
Imidazo(2,1-b)thiazole, 5,6-dihydro-2,3-diphenyl-, hydrobromide
CID 3059702
2,3-Diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 874735
2-Benzylsulfanyl-3-[(3,5-dimethylphenyl)methyl]pyrimidine-4-thione
CID 11544872
ethyl N,N-dibenzyl-N'-prop-2-enylcarbamimidothioate;hydrobromide
CID 44582557
2-[3-[(6S)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine
CID 134140311
(6S)-6-(2-methylpropyl)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 134151088
2-[3-[(6R)-2,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propyl]guanidine
CID 134154407
2-methyl-5-(4-methylphenyl)-7-[(E)-2-(4-methylphenyl)ethenyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 162654635
N-(3-benzyl-5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2(3H)-ylidene)-N-methylamine
CID 56693405

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The IUPAC name of 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine (CID 45035650) is 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine.
What is the SMILES notation for 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The canonical SMILES for 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is C/N=c1\sc(-c2cccc(C(F)(F)F)c2)c(C)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
The InChIKey is LGOFNWIQWORCGO-NKFKGCMQSA-N. The full InChI is InChI=1S/C19H17F3N2S/c1-13-17(15-9-6-10-16(11-15)19(20,21)22)25-18(23-2)24(13)12-14-7-4-3-5-8-14/h3-11H,12H2,1-2H3/b23-18-.
What are the key properties of 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine?
3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine has a molecular weight of 362.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 45035650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).