(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one

C22H19N3O2S — CID 5340955

IUPAC(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2S/C(=N/N=C/c3ccco3)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C22H19N3O2S/c1-16-7-5-8-17(13-16)14-20-21(26)25(18-9-3-2-4-10-18)22(28-20)24-23-15-19-11-6-12-27-19/h2-13,15,20H,14H2,1H3/b23-15+,24-22+
InChIKeyCTRZZOQXWBNCDT-COWAANAZSA-N
MW389.48 g/mol
LogP4.67
Rot. Bonds5

About (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 5340955) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID5340955
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
SMILESCc1cccc(CC2S/C(=N/N=C/c3ccco3)N(c3ccccc3)C2=O)c1
InChIInChI=1S/C22H19N3O2S/c1-16-7-5-8-17(13-16)14-20-21(26)25(18-9-3-2-4-10-18)22(28-20)24-23-15-19-11-6-12-27-19/h2-13,15,20H,14H2,1H3/b23-15+,24-22+
InChIKeyCTRZZOQXWBNCDT-COWAANAZSA-N
XLogP4.67
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
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 (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one (CID 5340955) is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one is Cc1cccc(CC2S/C(=N/N=C/c3ccco3)N(c3ccccc3)C2=O)c1.
What is the InChIKey of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is CTRZZOQXWBNCDT-COWAANAZSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-16-7-5-8-17(13-16)14-20-21(26)25(18-9-3-2-4-10-18)22(28-20)24-23-15-19-11-6-12-27-19/h2-13,15,20H,14H2,1H3/b23-15+,24-22+.
What are the key properties of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 389.48 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(3-methylphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5340955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).