2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

C18H15F3N2OS — CID 135404098

IUPAC2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1
InChIInChI=1S/C18H15F3N2OS/c1-11-5-7-14(8-6-11)22-17-23-16(24)15(25-17)10-12-3-2-4-13(9-12)18(19,20)21/h2-9,15H,10H2,1H3,(H,22,23,24)
InChIKeyLKJFEVJLZCHMNR-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.48
Rot. Bonds3

About 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135404098) has the molecular formula C18H15F3N2OS and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135404098
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1
InChIInChI=1S/C18H15F3N2OS/c1-11-5-7-14(8-6-11)22-17-23-16(24)15(25-17)10-12-3-2-4-13(9-12)18(19,20)21/h2-9,15H,10H2,1H3,(H,22,23,24)
InChIKeyLKJFEVJLZCHMNR-UHFFFAOYSA-N
XLogP4.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-[(2-methylphenyl)amino]-1,3-thiazol-4(5H)-one
CID 135450677
2-((2,4-Dimethylphenyl)amino)-4,5-dihydro-1,3-thiazol-4-one
CID 135415560
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
5-Propan-2-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135950129
5-Cyclohexyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135989258
5-Cyclopentyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 135989619
2-(4-Cyclohexylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989662
(E)-5-benzyl-2-(phenylimino)thiazolidin-4-one
CID 135406212
2-(m-toluidino)-5-ethylthiazol-4(5H)-one
CID 135442744
(E)-5-(4-fluorobenzyl)-2-((4-fluorophenyl)imino)thiazolidin-4-one
CID 135473286
(E)-2-((4-chlorophenyl)imino)-5-(3-(trifluoromethyl)benzyl)thiazolidin-4-one
CID 135414745
2-(Phenylimino)-5-(3-(trifluoromethyl)benzyl)-1,3-thiazolidin-4-one
CID 135441318

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135404098) is 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\NC(=O)C(Cc3cccc(C(F)(F)F)c3)S2)cc1.
What is the InChIKey of 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is LKJFEVJLZCHMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c1-11-5-7-14(8-6-11)22-17-23-16(24)15(25-17)10-12-3-2-4-13(9-12)18(19,20)21/h2-9,15H,10H2,1H3,(H,22,23,24).
What are the key properties of 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 364.39 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135404098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).