(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C17H14FN3OS — CID 18842221

IUPAC(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N/c2cccnc2)N(C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3OS/c1-11(12-5-7-13(18)8-6-12)15-16(22)21(2)17(23-15)20-14-4-3-9-19-10-14/h3-10H,1-2H3/b15-11-,20-17+
InChIKeyNAADYMCJGZHJLE-CRXBRMBISA-N
MW327.38 g/mol
LogP3.84
Rot. Bonds2

About (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842221) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842221
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC/C(=C1/S/C(=N/c2cccnc2)N(C)C1=O)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3OS/c1-11(12-5-7-13(18)8-6-12)15-16(22)21(2)17(23-15)20-14-4-3-9-19-10-14/h3-10H,1-2H3/b15-11-,20-17+
InChIKeyNAADYMCJGZHJLE-CRXBRMBISA-N
XLogP3.84
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
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

(Z)-3-phenethyl-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-4-one
CID 2241090
(7Z)-3-(3-methylphenyl)-7-(pyridin-2-ylmethylidene)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1806528
(5Z)-2-(4-ethylphenyl)imino-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 134145284
3-(2-Phenylethyl)-5-(2-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 2047913
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 (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842221) is (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is C/C(=C1/S/C(=N/c2cccnc2)N(C)C1=O)c1ccc(F)cc1.
What is the InChIKey of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is NAADYMCJGZHJLE-CRXBRMBISA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-11(12-5-7-13(18)8-6-12)15-16(22)21(2)17(23-15)20-14-4-3-9-19-10-14/h3-10H,1-2H3/b15-11-,20-17+.
What are the key properties of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 327.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).