(5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

C18H13ClN2OS — CID 135417092

IUPAC(5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13ClN2OS/c19-14-10-4-5-11-15(14)20-18-21-17(22)16(23-18)12-6-9-13-7-2-1-3-8-13/h1-12H,(H,20,21,22)/b9-6+,16-12-
InChIKeyNKIWWRJRKUNSDM-FLIHGVEMSA-N
MW340.84 g/mol
LogP4.79
Rot. Bonds3

About (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135417092) has the molecular formula C18H13ClN2OS and a molecular weight of 340.84 g/mol. Its IUPAC name is (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135417092
Molecular FormulaC18H13ClN2OS
Molecular Weight340.84 g/mol
Exact Mass340.04
IUPAC Name(5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\C=C\c1ccccc1
InChIInChI=1S/C18H13ClN2OS/c19-14-10-4-5-11-15(14)20-18-21-17(22)16(23-18)12-6-9-13-7-2-1-3-8-13/h1-12H,(H,20,21,22)/b9-6+,16-12-
InChIKeyNKIWWRJRKUNSDM-FLIHGVEMSA-N
XLogP4.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.79
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'}

Analyze (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-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

4-Thiazolidinone, 5-benzylidene-2-phenylimino-
CID 135411779
5-[(4-Methylphenyl)methylene]-2-(phenylamino)-4(5h)-thiazolone
CID 135580376
2-(2-Chloro-phenylimino)-5-(3-nitro-benzylidene)-thiazolidin-4-one
CID 135512886
(5E)-2-[(2-chlorophenyl)amino]-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one
CID 135442979
(2E,5Z)-5-(4-fluorobenzylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135518519
Stk347774
CID 135417096
(5Z)-5-[(3-chlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 70684317
4-[[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 135498108
5-(4-Chlorobenzylidene)-2-{[4-(dimethylamino)phenyl]imino}-1,3-thiazolidin-4-one
CID 135971380
(2Z,5Z)-2-(Benzylimino)-5-[(4-chloro-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137287456
2-[(Z)-3-Chloro-2-methyl-phenylimino]-thiazolidin-4-one
CID 135468635
2-(3-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135665679

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135417092) is (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2Cl)S/C1=C\C=C\c1ccccc1.
What is the InChIKey of (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is NKIWWRJRKUNSDM-FLIHGVEMSA-N. The full InChI is InChI=1S/C18H13ClN2OS/c19-14-10-4-5-11-15(14)20-18-21-17(22)16(23-18)12-6-9-13-7-2-1-3-8-13/h1-12H,(H,20,21,22)/b9-6+,16-12-.
What are the key properties of (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 340.84 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chlorophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135417092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).