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

C16H11F3N2OS — CID 139220981

IUPAC3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccccc1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)11-5-4-6-12(9-11)20-15-21(14(22)10-23-15)13-7-2-1-3-8-13/h1-9H,10H2/b20-15-
InChIKeyZFDGBGIKEBMRLE-HKWRFOASSA-N
MW336.34 g/mol
LogP4.47
Rot. Bonds2

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

3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 139220981) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is 3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID139220981
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC Name3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccccc1
InChIInChI=1S/C16H11F3N2OS/c17-16(18,19)11-5-4-6-12(9-11)20-15-21(14(22)10-23-15)13-7-2-1-3-8-13/h1-9H,10H2/b20-15-
InChIKeyZFDGBGIKEBMRLE-HKWRFOASSA-N
XLogP4.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.47
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-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 139220981) is 3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(C(F)(F)F)c2)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is ZFDGBGIKEBMRLE-HKWRFOASSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c17-16(18,19)11-5-4-6-12(9-11)20-15-21(14(22)10-23-15)13-7-2-1-3-8-13/h1-9H,10H2/b20-15-.
What are the key properties of 3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?
3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 336.34 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 139220981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).