5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one

C16H12ClFN2OS — CID 135416189

IUPAC5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(F)cc2)SC1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClFN2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21)
InChIKeyZKNYHSRMJANWIC-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.94
Rot. Bonds3

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

5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135416189) has the molecular formula C16H12ClFN2OS and a molecular weight of 334.80 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135416189
Molecular FormulaC16H12ClFN2OS
Molecular Weight334.80 g/mol
Exact Mass334.03
IUPAC Name5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(F)cc2)SC1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClFN2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21)
InChIKeyZKNYHSRMJANWIC-UHFFFAOYSA-N
XLogP3.94
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.94
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-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 135416189) is 5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(F)cc2)SC1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ZKNYHSRMJANWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-8,14H,9H2,(H,19,20,21).
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one?
5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 334.80 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135416189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).