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

C11H9F3N2OS — CID 135989061

IUPAC5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C11H9F3N2OS/c1-6-9(17)16-10(18-6)15-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H,15,16,17)
InChIKeyWVERRIAWHQWKSQ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.94
Rot. Bonds1

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

5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135989061) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135989061
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\c2ccccc2C(F)(F)F)NC1=O
InChIInChI=1S/C11H9F3N2OS/c1-6-9(17)16-10(18-6)15-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H,15,16,17)
InChIKeyWVERRIAWHQWKSQ-UHFFFAOYSA-N
XLogP2.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135989061) is 5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is CC1S/C(=N\c2ccccc2C(F)(F)F)NC1=O.
What is the InChIKey of 5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is WVERRIAWHQWKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c1-6-9(17)16-10(18-6)15-8-5-3-2-4-7(8)11(12,13)14/h2-6H,1H3,(H,15,16,17).
What are the key properties of 5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 274.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).