2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

C16H9Cl2FN2OS — CID 135402381

IUPAC2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cc(Cl)cc(Cl)c2)SC1=Cc1cccc(F)c1
InChIInChI=1S/C16H9Cl2FN2OS/c17-10-6-11(18)8-13(7-10)20-16-21-15(22)14(23-16)5-9-2-1-3-12(19)4-9/h1-8H,(H,20,21,22)
InChIKeyRAWMUXOJTIBEQL-UHFFFAOYSA-N
MW367.23 g/mol
LogP5.02
Rot. Bonds2

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

2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135402381) has the molecular formula C16H9Cl2FN2OS and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135402381
Molecular FormulaC16H9Cl2FN2OS
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cc(Cl)cc(Cl)c2)SC1=Cc1cccc(F)c1
InChIInChI=1S/C16H9Cl2FN2OS/c17-10-6-11(18)8-13(7-10)20-16-21-15(22)14(23-16)5-9-2-1-3-12(19)4-9/h1-8H,(H,20,21,22)
InChIKeyRAWMUXOJTIBEQL-UHFFFAOYSA-N
XLogP5.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.23
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-(4-bromophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135761059
(5E)-5-[(3-fluorophenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135868134
(5Z)-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135444344
5-[[(5Z)-5-[(3-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzene-1,3-dicarboxylic acid
CID 135834610
(5E)-2-(3-chlorophenyl)imino-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137062975
(5Z)-5-[(3-chlorophenyl)methylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137020566
(5E)-5-[(3-chlorophenyl)methylidene]-2-(2,6-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135841124
(5E)-2-(4-fluorophenyl)imino-5-[(3-phenoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137034519
2-(3,5-dichlorophenyl)imino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135441536
2-(2-chlorophenyl)imino-5-[(3-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135531809
(5E)-5-[(3,4-difluorophenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135707672
(5E)-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]-2-(4-fluorophenyl)imino-1,3-thiazolidin-4-one
CID 137034544

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135402381) is 2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cc(Cl)cc(Cl)c2)SC1=Cc1cccc(F)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is RAWMUXOJTIBEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN2OS/c17-10-6-11(18)8-13(7-10)20-16-21-15(22)14(23-16)5-9-2-1-3-12(19)4-9/h1-8H,(H,20,21,22).
What are the key properties of 2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?
2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 367.23 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)imino-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135402381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).