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

C17H13F3N2OS — CID 135441318

IUPAC2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)SC1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2OS/c18-17(19,20)12-6-4-5-11(9-12)10-14-15(23)22-16(24-14)21-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,21,22,23)
InChIKeyDXTMCFZBFJNDOP-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.17
Rot. Bonds3

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

2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 135441318) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID135441318
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2)SC1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13F3N2OS/c18-17(19,20)12-6-4-5-11(9-12)10-14-15(23)22-16(24-14)21-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,21,22,23)
InChIKeyDXTMCFZBFJNDOP-UHFFFAOYSA-N
XLogP4.17
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.17
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 2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 135441318) is 2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2)SC1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is DXTMCFZBFJNDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c18-17(19,20)12-6-4-5-11(9-12)10-14-15(23)22-16(24-14)21-13-7-2-1-3-8-13/h1-9,14H,10H2,(H,21,22,23).
What are the key properties of 2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 350.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylimino-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135441318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).