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

C19H14ClN3OS — CID 135555335

IUPAC(2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccc(Cl)cc2)S/C1=C\C=C\c1ccccc1
InChIInChI=1S/C19H14ClN3OS/c20-16-11-9-15(10-12-16)13-21-23-19-22-18(24)17(25-19)8-4-7-14-5-2-1-3-6-14/h1-13H,(H,22,23,24)/b7-4+,17-8-,21-13+
InChIKeyHNEWXWNBLHJSIM-PCGNAQPYSA-N
MW367.86 g/mol
LogP4.49
Rot. Bonds4

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

(2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135555335) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is (2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
PubChem CID135555335
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name(2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C\c2ccc(Cl)cc2)S/C1=C\C=C\c1ccccc1
InChIInChI=1S/C19H14ClN3OS/c20-16-11-9-15(10-12-16)13-21-23-19-22-18(24)17(25-19)8-4-7-14-5-2-1-3-6-14/h1-13H,(H,22,23,24)/b7-4+,17-8-,21-13+
InChIKeyHNEWXWNBLHJSIM-PCGNAQPYSA-N
XLogP4.49
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-5-benzylidene-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135736425
methyl 2-[(2E)-2-(benzylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 135850050
(5E)-5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135501423
(2E,5E)-2-[(E)-benzylidenehydrazinylidene]-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135782311
(5Z)-2-(3-bromophenyl)imino-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135642608
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137231536
(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
CID 135403139
5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135453536
methyl (2E)-2-[(2Z)-2-[[4-(N-methylanilino)phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 172924783
(5E)-5-benzylidene-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137206991
2-[(2,4-dichlorophenyl)methylidenehydrazinylidene]-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135531998
(2Z,5Z)-5-[(2-chlorophenyl)methylidene]-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887753

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one (CID 135555335) is (2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S/C1=C\C=C\c1ccccc1.
What is the InChIKey of (2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
The InChIKey is HNEWXWNBLHJSIM-PCGNAQPYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c20-16-11-9-15(10-12-16)13-21-23-19-22-18(24)17(25-19)8-4-7-14-5-2-1-3-6-14/h1-13H,(H,22,23,24)/b7-4+,17-8-,21-13+.
What are the key properties of (2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one?
(2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 367.86 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135555335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).