(5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

C16H11FN2OS — CID 135400260

IUPAC(5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1F
InChIInChI=1S/C16H11FN2OS/c17-13-9-5-4-6-11(13)10-14-15(20)19-16(21-14)18-12-7-2-1-3-8-12/h1-10H,(H,18,19,20)/b14-10+
InChIKeyDUSJMFFLGIMECR-GXDHUFHOSA-N
MW298.34 g/mol
LogP3.72
Rot. Bonds2

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

(5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 135400260) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is (5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID135400260
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name(5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1F
InChIInChI=1S/C16H11FN2OS/c17-13-9-5-4-6-11(13)10-14-15(20)19-16(21-14)18-12-7-2-1-3-8-12/h1-10H,(H,18,19,20)/b14-10+
InChIKeyDUSJMFFLGIMECR-GXDHUFHOSA-N
XLogP3.72
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.72
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

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
2-p-Tolylamino-thiazol-4-one
CID 135411781
2-m-Tolylamino-thiazol-4-one
CID 135415496
2-o-Tolylamino-thiazol-4-one
CID 135415405
2-(3-Trifluoromethyl-phenylamino)-thiazol-4-one
CID 135448709
2-[(2-fluorobenzyl)thio]-6-phenyl-4(3H)-pyrimidinone
CID 135403416
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
(5Z)-5-benzylidene-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6123445
5-[4-(Dimethylamino)benzylidene]-2-[(4-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 135403926
5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135498174
(2E,5Z)-5-(4-fluorobenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135518519
5-Ethyl-2-(2-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 136169588

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 135400260) is (5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccccc1F.
What is the InChIKey of (5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is DUSJMFFLGIMECR-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-13-9-5-4-6-11(13)10-14-15(20)19-16(21-14)18-12-7-2-1-3-8-12/h1-10H,(H,18,19,20)/b14-10+.
What are the key properties of (5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 298.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2-fluorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135400260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).