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

C17H13F3N2OS — CID 139220980

IUPAC3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS/C2=N\c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H13F3N2OS/c1-11-5-7-14(8-6-11)22-15(23)10-24-16(22)21-13-4-2-3-12(9-13)17(18,19)20/h2-9H,10H2,1H3/b21-16-
InChIKeyZRGXHWXCDDZMPZ-PGMHBOJBSA-N
MW350.37 g/mol
LogP4.78
Rot. Bonds2

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

3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 139220980) has the molecular formula C17H13F3N2OS and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID139220980
Molecular FormulaC17H13F3N2OS
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESCc1ccc(N2C(=O)CS/C2=N\c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H13F3N2OS/c1-11-5-7-14(8-6-11)22-15(23)10-24-16(22)21-13-4-2-3-12(9-13)17(18,19)20/h2-9H,10H2,1H3/b21-16-
InChIKeyZRGXHWXCDDZMPZ-PGMHBOJBSA-N
XLogP4.78
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
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 3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 139220980) is 3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is Cc1ccc(N2C(=O)CS/C2=N\c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is ZRGXHWXCDDZMPZ-PGMHBOJBSA-N. The full InChI is InChI=1S/C17H13F3N2OS/c1-11-5-7-14(8-6-11)22-15(23)10-24-16(22)21-13-4-2-3-12(9-13)17(18,19)20/h2-9H,10H2,1H3/b21-16-.
What are the key properties of 3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 350.37 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 139220980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).