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

C20H17ClN2O3S — CID 135834936

IUPAC(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)/C(=C/C(Cl)=C/c3ccccc3)S2)c(OC)c1
InChIInChI=1S/C20H17ClN2O3S/c1-25-15-8-9-16(17(12-15)26-2)22-20-23-19(24)18(27-20)11-14(21)10-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23,24)/b14-10-,18-11-
InChIKeyQNZTZHCSQQJCIS-LQHTZKGQSA-N
MW400.89 g/mol
LogP4.72
Rot. Bonds5

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

(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135834936) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135834936
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
SMILESCOc1ccc(/N=C2\NC(=O)/C(=C/C(Cl)=C/c3ccccc3)S2)c(OC)c1
InChIInChI=1S/C20H17ClN2O3S/c1-25-15-8-9-16(17(12-15)26-2)22-20-23-19(24)18(27-20)11-14(21)10-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23,24)/b14-10-,18-11-
InChIKeyQNZTZHCSQQJCIS-LQHTZKGQSA-N
XLogP4.72
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(5Z)-2-(2,4-dimethoxyphenyl)imino-5-[(3-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135834922
2-(2,4-dimethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482873
4-[[2-(2,4-dimethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 135483130
2-(2,4-dimethoxyphenyl)imino-5-[(2,5-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135482900
5-benzylidene-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486652
2-[[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135522740
(5Z)-2-(2,4-dimethylphenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135500988
(5Z)-2-(2-methylphenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135518502
5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135482921
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501918
(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528460
(5E)-2-(2-hydroxyphenyl)imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135478932

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one (CID 135834936) is (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one is COc1ccc(/N=C2\NC(=O)/C(=C/C(Cl)=C/c3ccccc3)S2)c(OC)c1.
What is the InChIKey of (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is QNZTZHCSQQJCIS-LQHTZKGQSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-25-15-8-9-16(17(12-15)26-2)22-20-23-19(24)18(27-20)11-14(21)10-13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,23,24)/b14-10-,18-11-.
What are the key properties of (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 400.89 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-2-chloro-3-phenylprop-2-enylidene]-2-(2,4-dimethoxyphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135834936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).