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

C15H10FN3OS — CID 135493311

IUPAC(5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccnc2)S/C1=C/c1ccc(F)cc1
InChIInChI=1S/C15H10FN3OS/c16-11-5-3-10(4-6-11)8-13-14(20)19-15(21-13)18-12-2-1-7-17-9-12/h1-9H,(H,18,19,20)/b13-8+
InChIKeyCXEUKWTXRPMIDS-MDWZMJQESA-N
MW299.33 g/mol
LogP3.11
Rot. Bonds2

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

(5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 135493311) has the molecular formula C15H10FN3OS and a molecular weight of 299.33 g/mol. Its IUPAC name is (5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID135493311
Molecular FormulaC15H10FN3OS
Molecular Weight299.33 g/mol
Exact Mass299.05
IUPAC Name(5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2cccnc2)S/C1=C/c1ccc(F)cc1
InChIInChI=1S/C15H10FN3OS/c16-11-5-3-10(4-6-11)8-13-14(20)19-15(21-13)18-12-2-1-7-17-9-12/h1-9H,(H,18,19,20)/b13-8+
InChIKeyCXEUKWTXRPMIDS-MDWZMJQESA-N
XLogP3.11
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(2E,5Z)-5-((1-methyl-1H-pyrrol-2-yl)methylene)-2-(p-tolylimino)thiazolidin-4-one
CID 135444306
(5Z)-2-(2-methylanilino)-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazol-4-one
CID 135535982
3-Phenyl-N-pyridin-3-yl-acrylamide
CID 825474
6-{(Z)-1-[1-(4-Fluorobenzyl)-1H-pyrrol-2-YL]methylidene}-5-imino-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-one
CID 6107078
1-benzyl-2-(methylthio)-4-(3-pyridylmethylidene)-4,5-dihydro-1H-imidazol-5-one
CID 6364736
2-(Phenylimino)-5-(3-pyridinylmethylene)-1,3-thiazolidin-4-one
CID 135460418
(2E,5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-2-(pyridin-3-ylimino)-1,3-thiazolidin-4-one
CID 135493319
(2E,5Z)-5-(3-fluorobenzylidene)-2-(pyridin-3-ylimino)-1,3-thiazolidin-4-one
CID 135506644
(2Z,5Z)-2-[(3-methylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135547125
(2Z,5Z)-2-((2,3-dimethylphenyl)imino)-5-(pyridin-3-ylmethylene)thiazolidin-4-one
CID 135547126
(2E,5Z)-2-[(3,4-dimethylphenyl)imino]-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 135547146
2-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-3-pyridinylacetamide
CID 1338143

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 135493311) is (5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is O=C1N/C(=N/c2cccnc2)S/C1=C/c1ccc(F)cc1.
What is the InChIKey of (5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is CXEUKWTXRPMIDS-MDWZMJQESA-N. The full InChI is InChI=1S/C15H10FN3OS/c16-11-5-3-10(4-6-11)8-13-14(20)19-15(21-13)18-12-2-1-7-17-9-12/h1-9H,(H,18,19,20)/b13-8+.
What are the key properties of (5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 299.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-fluorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135493311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).