(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C19H19ClN4OS — CID 135421680

IUPAC(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C19H19ClN4OS/c1-24(2)16-9-5-14(6-10-16)12-21-23-19-22-18(25)17(26-19)11-13-3-7-15(20)8-4-13/h3-10,12,17H,11H2,1-2H3,(H,22,23,25)/b21-12+
InChIKeyDWYONNROOHRNLD-CIAFOILYSA-N
MW386.91 g/mol
LogP3.57
Rot. Bonds5

About (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135421680) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135421680
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C19H19ClN4OS/c1-24(2)16-9-5-14(6-10-16)12-21-23-19-22-18(25)17(26-19)11-13-3-7-15(20)8-4-13/h3-10,12,17H,11H2,1-2H3,(H,22,23,25)/b21-12+
InChIKeyDWYONNROOHRNLD-CIAFOILYSA-N
XLogP3.57
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135421680) is (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3)S2)cc1.
What is the InChIKey of (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is DWYONNROOHRNLD-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-24(2)16-9-5-14(6-10-16)12-21-23-19-22-18(25)17(26-19)11-13-3-7-15(20)8-4-13/h3-10,12,17H,11H2,1-2H3,(H,22,23,25)/b21-12+.
What are the key properties of (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 386.91 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135421680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).