(2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one

C19H15Cl2N3OS — CID 135782605

IUPAC(2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/C=C/c2ccccc2)SC1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl2N3OS/c20-15-8-9-16(21)14(11-15)12-17-18(25)23-19(26-17)24-22-10-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2,(H,23,24,25)/b7-4+,22-10+
InChIKeyGNCFOMZXPUFGNQ-CXHGCJEXSA-N
MW404.32 g/mol
LogP4.82
Rot. Bonds5

About (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135782605) has the molecular formula C19H15Cl2N3OS and a molecular weight of 404.32 g/mol. Its IUPAC name is (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135782605
Molecular FormulaC19H15Cl2N3OS
Molecular Weight404.32 g/mol
Exact Mass403.03
IUPAC Name(2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/N=C/C=C/c2ccccc2)SC1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl2N3OS/c20-15-8-9-16(21)14(11-15)12-17-18(25)23-19(26-17)24-22-10-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2,(H,23,24,25)/b7-4+,22-10+
InChIKeyGNCFOMZXPUFGNQ-CXHGCJEXSA-N
XLogP4.82
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135782621
(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135851513
5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137220432
2-[(2E)-4-oxo-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 135521421
(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135804785
(2E)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135645367
(5R)-5-[(2,5-dichlorophenyl)methyl]-2-phenylimino-1,3-thiazolidin-4-one
CID 135665703
2-[2-(cinnamylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(3,4-dichlorophenyl)acetamide
CID 135512674
(2Z,5R)-5-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
CID 136694759
2-[(2Z,5R)-4-oxo-2-[(Z)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-5-yl]acetate
CID 135744312
(2Z,5S)-5-benzyl-2-[(Z)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135885577
(2Z)-5-benzyl-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909626

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one (CID 135782605) is (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/N=C/C=C/c2ccccc2)SC1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is GNCFOMZXPUFGNQ-CXHGCJEXSA-N. The full InChI is InChI=1S/C19H15Cl2N3OS/c20-15-8-9-16(21)14(11-15)12-17-18(25)23-19(26-17)24-22-10-4-7-13-5-2-1-3-6-13/h1-11,17H,12H2,(H,23,24,25)/b7-4+,22-10+.
What are the key properties of (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 404.32 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[(2,5-dichlorophenyl)methyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135782605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).