(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

C22H18ClN3O3S — CID 135815356

IUPAC(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2S/C(=N/N=Cc3ccc(-c4ccc(Cl)cc4)o3)NC2=O)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-28-17-8-2-14(3-9-17)12-20-21(27)25-22(30-20)26-24-13-18-10-11-19(29-18)15-4-6-16(23)7-5-15/h2-11,13,20H,12H2,1H3,(H,25,26,27)
InChIKeyPXJIUJKEPVTHJV-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.77
Rot. Bonds6

About (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135815356) has the molecular formula C22H18ClN3O3S and a molecular weight of 439.92 g/mol. Its IUPAC name is (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135815356
Molecular FormulaC22H18ClN3O3S
Molecular Weight439.92 g/mol
Exact Mass439.08
IUPAC Name(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(CC2S/C(=N/N=Cc3ccc(-c4ccc(Cl)cc4)o3)NC2=O)cc1
InChIInChI=1S/C22H18ClN3O3S/c1-28-17-8-2-14(3-9-17)12-20-21(27)25-22(30-20)26-24-13-18-10-11-19(29-18)15-4-6-16(23)7-5-15/h2-11,13,20H,12H2,1H3,(H,25,26,27)
InChIKeyPXJIUJKEPVTHJV-UHFFFAOYSA-N
XLogP4.77
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-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

(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712180
(2E)-2-[(E)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135645347
(2E,5S)-2-[(Z)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135780067
2-[(E)-[5-(4-methoxyphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 137179474
(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135736260
(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135712087
(2Z,5R)-2-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-chlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135920456
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135427595
2-[(2Z,5R)-2-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135591637
(2Z)-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135444134
(2Z)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135635544
(2Z,5R)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 136803369

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 135815356) is (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1ccc(CC2S/C(=N/N=Cc3ccc(-c4ccc(Cl)cc4)o3)NC2=O)cc1.
What is the InChIKey of (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is PXJIUJKEPVTHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S/c1-28-17-8-2-14(3-9-17)12-20-21(27)25-22(30-20)26-24-13-18-10-11-19(29-18)15-4-6-16(23)7-5-15/h2-11,13,20H,12H2,1H3,(H,25,26,27).
What are the key properties of (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 439.92 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135815356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).