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

C19H18Cl2N4OS — CID 135426246

IUPAC(2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3Cl)S2)cc1
InChIInChI=1S/C19H18Cl2N4OS/c1-25(2)15-7-3-12(4-8-15)11-22-24-19-23-18(26)17(27-19)9-13-5-6-14(20)10-16(13)21/h3-8,10-11,17H,9H2,1-2H3,(H,23,24,26)/b22-11+
InChIKeyJOLHSDMPNFWGLR-SSDVNMTOSA-N
MW421.35 g/mol
LogP4.22
Rot. Bonds5

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

(2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135426246) has the molecular formula C19H18Cl2N4OS and a molecular weight of 421.35 g/mol. Its IUPAC name is (2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135426246
Molecular FormulaC19H18Cl2N4OS
Molecular Weight421.35 g/mol
Exact Mass420.06
IUPAC Name(2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3Cl)S2)cc1
InChIInChI=1S/C19H18Cl2N4OS/c1-25(2)15-7-3-12(4-8-15)11-22-24-19-23-18(26)17(27-19)9-13-5-6-14(20)10-16(13)21/h3-8,10-11,17H,9H2,1-2H3,(H,23,24,26)/b22-11+
InChIKeyJOLHSDMPNFWGLR-SSDVNMTOSA-N
XLogP4.22
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 54.22
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-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135426246) is (2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[(2,4-dichlorophenyl)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)cc3Cl)S2)cc1.
What is the InChIKey of (2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is JOLHSDMPNFWGLR-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H18Cl2N4OS/c1-25(2)15-7-3-12(4-8-15)11-22-24-19-23-18(26)17(27-19)9-13-5-6-14(20)10-16(13)21/h3-8,10-11,17H,9H2,1-2H3,(H,23,24,26)/b22-11+.
What are the key properties of (2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 421.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[(2,4-dichlorophenyl)methyl]-2-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135426246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).