(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C22H19N3O2S — CID 135736260

IUPAC(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2ccc(/C=N\N=C3/NC(=O)C(Cc4ccccc4)S3)o2)cc1
InChIInChI=1S/C22H19N3O2S/c1-15-7-9-17(10-8-15)19-12-11-18(27-19)14-23-25-22-24-21(26)20(28-22)13-16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3,(H,24,25,26)/b23-14-
InChIKeyNOCJOAFKKLQBQD-UCQKPKSFSA-N
MW389.48 g/mol
LogP4.42
Rot. Bonds5

About (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135736260) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135736260
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2ccc(/C=N\N=C3/NC(=O)C(Cc4ccccc4)S3)o2)cc1
InChIInChI=1S/C22H19N3O2S/c1-15-7-9-17(10-8-15)19-12-11-18(27-19)14-23-25-22-24-21(26)20(28-22)13-16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3,(H,24,25,26)/b23-14-
InChIKeyNOCJOAFKKLQBQD-UCQKPKSFSA-N
XLogP4.42
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.42
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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Related Compounds

(2Z)-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135444134
(2E)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712180
2-[(E)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 137186429
(2Z)-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135451252
5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135500177
(2E)-2-[(E)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135536240
(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135726150
(2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135815356
(2Z,5R)-2-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(3-chlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135920456
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455712
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135421677
(2E)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135798981

Frequently Asked Questions

What is the IUPAC name of (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135736260) is (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(-c2ccc(/C=N\N=C3/NC(=O)C(Cc4ccccc4)S3)o2)cc1.
What is the InChIKey of (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is NOCJOAFKKLQBQD-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-15-7-9-17(10-8-15)19-12-11-18(27-19)14-23-25-22-24-21(26)20(28-22)13-16-5-3-2-4-6-16/h2-12,14,20H,13H2,1H3,(H,24,25,26)/b23-14-.
What are the key properties of (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 389.48 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135736260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).