5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H14ClN3OS — CID 135453536

IUPAC5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccc(Cl)cc2)SC1Cc1ccccc1
InChIInChI=1S/C17H14ClN3OS/c18-14-8-6-13(7-9-14)11-19-21-17-20-16(22)15(23-17)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,20,21,22)
InChIKeyQJKTVDNFULKDMZ-UHFFFAOYSA-N
MW343.84 g/mol
LogP3.50
Rot. Bonds4

About 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135453536) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135453536
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccc(Cl)cc2)SC1Cc1ccccc1
InChIInChI=1S/C17H14ClN3OS/c18-14-8-6-13(7-9-14)11-19-21-17-20-16(22)15(23-17)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,20,21,22)
InChIKeyQJKTVDNFULKDMZ-UHFFFAOYSA-N
XLogP3.50
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-5-[(3-chlorophenyl)methyl]-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473262
(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
(2E)-2-[(E)-(4-tert-butylphenyl)methylidenehydrazinylidene]-5-[(4-chlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135712021
(2E,5S)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780056
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135536240
5-benzyl-2-[(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135510882
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135726150
5-[(3-chlorophenyl)methyl]-2-[(4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135522216
(2E)-2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135815354
(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473256
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135643806

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135453536) is 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccc(Cl)cc2)SC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is QJKTVDNFULKDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-14-8-6-13(7-9-14)11-19-21-17-20-16(22)15(23-17)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,20,21,22).
What are the key properties of 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 343.84 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135453536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).