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

C19H15ClN2OS — CID 135665679

IUPAC(5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCC(=C/c1ccccc1)/C=C1\S/C(=N/c2cccc(Cl)c2)NC1=O
InChIInChI=1S/C19H15ClN2OS/c1-13(10-14-6-3-2-4-7-14)11-17-18(23)22-19(24-17)21-16-9-5-8-15(20)12-16/h2-12H,1H3,(H,21,22,23)/b13-10-,17-11-
InChIKeyQZVKWPAHBBJEBY-VHDJGTGISA-N
MW354.86 g/mol
LogP5.18
Rot. Bonds3

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

(5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135665679) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is (5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135665679
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name(5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESCC(=C/c1ccccc1)/C=C1\S/C(=N/c2cccc(Cl)c2)NC1=O
InChIInChI=1S/C19H15ClN2OS/c1-13(10-14-6-3-2-4-7-14)11-17-18(23)22-19(24-17)21-16-9-5-8-15(20)12-16/h2-12H,1H3,(H,21,22,23)/b13-10-,17-11-
InChIKeyQZVKWPAHBBJEBY-VHDJGTGISA-N
XLogP5.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.18
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'}

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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
(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
(5E)-2-(phenylamino)-5-[4-(propan-2-yl)benzylidene]-1,3-thiazol-4(5H)-one
CID 135536290
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-(2-chlorophenylamino)-5-(2-methyl-3-phenylallylidene)thiazol-4(5H)-one
CID 135700427

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135665679) is (5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is CC(=C/c1ccccc1)/C=C1\S/C(=N/c2cccc(Cl)c2)NC1=O.
What is the InChIKey of (5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is QZVKWPAHBBJEBY-VHDJGTGISA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-13(10-14-6-3-2-4-7-14)11-17-18(23)22-19(24-17)21-16-9-5-8-15(20)12-16/h2-12H,1H3,(H,21,22,23)/b13-10-,17-11-.
What are the key properties of (5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 354.86 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-chlorophenyl)imino-5-[(Z)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135665679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).