(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C16H11ClFN3OS — CID 18842228

IUPAC(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N/c1cccnc1
InChIInChI=1S/C16H11ClFN3OS/c1-21-15(22)14(8-11-12(17)5-2-6-13(11)18)23-16(21)20-10-4-3-7-19-9-10/h2-9H,1H3/b14-8-,20-16+
InChIKeyYSYMDJQANNWSMA-LUXBQLJASA-N
MW347.80 g/mol
LogP4.11
Rot. Bonds2

About (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842228) has the molecular formula C16H11ClFN3OS and a molecular weight of 347.80 g/mol. Its IUPAC name is (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
PubChem CID18842228
Molecular FormulaC16H11ClFN3OS
Molecular Weight347.80 g/mol
Exact Mass347.03
IUPAC Name(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N/c1cccnc1
InChIInChI=1S/C16H11ClFN3OS/c1-21-15(22)14(8-11-12(17)5-2-6-13(11)18)23-16(21)20-10-4-3-7-19-9-10/h2-9H,1H3/b14-8-,20-16+
InChIKeyYSYMDJQANNWSMA-LUXBQLJASA-N
XLogP4.11
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.11
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'}

Analyze (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-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-[(2,6-dichlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842290
(5E)-3-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842176
(5E)-3-methyl-2-pyridin-3-ylimino-5-(1H-pyrrol-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 18842175
(5Z)-2-(3-hydroxyphenyl)imino-3-methyl-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-4-one
CID 27409064
(5Z)-5-[(4-chlorophenyl)methylidene]-3-ethyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842288
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-1,3-thiazolidin-4-one
CID 18844185
(5Z)-5-[(2-fluorophenyl)methylidene]-2-(3-hydroxyphenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 27409050
(5E)-2-(3-chlorophenyl)imino-5-[(2,3-dichlorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486440
(5E)-2-[(3-chloro-4-pyridinyl)imino]-3-methyl-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 18843721
(2E,5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-phenyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
CID 18844577
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2252407
(5E)-3-ethyl-5-[(1-methylpyrrol-2-yl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 18842279

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842228) is (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N/c1cccnc1.
What is the InChIKey of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
The InChIKey is YSYMDJQANNWSMA-LUXBQLJASA-N. The full InChI is InChI=1S/C16H11ClFN3OS/c1-21-15(22)14(8-11-12(17)5-2-6-13(11)18)23-16(21)20-10-4-3-7-19-9-10/h2-9H,1H3/b14-8-,20-16+.
What are the key properties of (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 347.80 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).