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

C19H16FN3OS — CID 18842427

IUPAC(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C(\C)c2ccc(F)cc2)S/C1=N/c1cccnc1
InChIInChI=1S/C19H16FN3OS/c1-3-11-23-18(24)17(13(2)14-6-8-15(20)9-7-14)25-19(23)22-16-5-4-10-21-12-16/h3-10,12H,1,11H2,2H3/b17-13-,22-19+
InChIKeyLALXFTDCZJZXFH-DCPJGFAUSA-N
MW353.42 g/mol
LogP4.40
Rot. Bonds4

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

(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842427) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842427
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C(\C)c2ccc(F)cc2)S/C1=N/c1cccnc1
InChIInChI=1S/C19H16FN3OS/c1-3-11-23-18(24)17(13(2)14-6-8-15(20)9-7-14)25-19(23)22-16-5-4-10-21-12-16/h3-10,12H,1,11H2,2H3/b17-13-,22-19+
InChIKeyLALXFTDCZJZXFH-DCPJGFAUSA-N
XLogP4.40
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione
CID 5967294
(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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842427) is (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C(\C)c2ccc(F)cc2)S/C1=N/c1cccnc1.
What is the InChIKey of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is LALXFTDCZJZXFH-DCPJGFAUSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-3-11-23-18(24)17(13(2)14-6-8-15(20)9-7-14)25-19(23)22-16-5-4-10-21-12-16/h3-10,12H,1,11H2,2H3/b17-13-,22-19+.
What are the key properties of (5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[1-(4-fluorophenyl)ethylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 353.42 g/mol, XLogP of 4.40, 4 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-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).