3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one

C16H12F2N2OS — CID 130385976

IUPAC3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(F)cc1N1C(=O)CS/C1=N\c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2OS/c1-10-2-3-12(18)8-14(10)20-15(21)9-22-16(20)19-13-6-4-11(17)5-7-13/h2-8H,9H2,1H3/b19-16-
InChIKeyVPMHJUWPUACNTL-MNDPQUGUSA-N
MW318.35 g/mol
LogP4.04
Rot. Bonds2

About 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one

3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 130385976) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID130385976
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC Name3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(F)cc1N1C(=O)CS/C1=N\c1ccc(F)cc1
InChIInChI=1S/C16H12F2N2OS/c1-10-2-3-12(18)8-14(10)20-15(21)9-22-16(20)19-13-6-4-11(17)5-7-13/h2-8H,9H2,1H3/b19-16-
InChIKeyVPMHJUWPUACNTL-MNDPQUGUSA-N
XLogP4.04
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.04
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-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 130385976) is 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(F)cc1N1C(=O)CS/C1=N\c1ccc(F)cc1.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is VPMHJUWPUACNTL-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c1-10-2-3-12(18)8-14(10)20-15(21)9-22-16(20)19-13-6-4-11(17)5-7-13/h2-8H,9H2,1H3/b19-16-.
What are the key properties of 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 318.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 130385976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).