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

C13H13F3N2OS — CID 135989146

IUPAC5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N/c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C13H13F3N2OS/c1-3-12(2)10(19)18-11(20-12)17-9-7-5-4-6-8(9)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyVYZRJFJHCZASHS-UHFFFAOYSA-N
MW302.32 g/mol
LogP3.72
Rot. Bonds2

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

5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135989146) has the molecular formula C13H13F3N2OS and a molecular weight of 302.32 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135989146
Molecular FormulaC13H13F3N2OS
Molecular Weight302.32 g/mol
Exact Mass302.07
IUPAC Name5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N/c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C13H13F3N2OS/c1-3-12(2)10(19)18-11(20-12)17-9-7-5-4-6-8(9)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyVYZRJFJHCZASHS-UHFFFAOYSA-N
XLogP3.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.72
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-methyl-5-pyridin-4-yl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135989057
5-(3-hydroxypropyl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
CID 143468417
2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen
CID 143468326
(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
CID 162583178
5-ethyl-5-methyl-2-methylimino-1,3-thiazolidin-4-one;5-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 162103895
5-methyl-2-(2-methylphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989331
5-methyl-5-pyridin-4-yl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
CID 143147192
(5E)-5-[(2-fluorophenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 136772715
(5E)-5-[(2-methoxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135736113
5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
CID 135447077
N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135927454
N-(3-chlorophenyl)-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135927427

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135989146) is 5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is CCC1(C)S/C(=N/c2ccccc2C(F)(F)F)NC1=O.
What is the InChIKey of 5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is VYZRJFJHCZASHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2OS/c1-3-12(2)10(19)18-11(20-12)17-9-7-5-4-6-8(9)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 302.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).