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

C16H15N3O2S — CID 135472852

IUPAC(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CC2S/C(=N/N=C/c3ccco3)NC2=O)cc1
InChIInChI=1S/C16H15N3O2S/c1-11-4-6-12(7-5-11)9-14-15(20)18-16(22-14)19-17-10-13-3-2-8-21-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+
InChIKeyGNZUBEWFZBQCLW-LICLKQGHSA-N
MW313.38 g/mol
LogP2.75
Rot. Bonds4

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

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135472852) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135472852
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(CC2S/C(=N/N=C/c3ccco3)NC2=O)cc1
InChIInChI=1S/C16H15N3O2S/c1-11-4-6-12(7-5-11)9-14-15(20)18-16(22-14)19-17-10-13-3-2-8-21-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+
InChIKeyGNZUBEWFZBQCLW-LICLKQGHSA-N
XLogP2.75
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.75
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 (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 135472852) is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccc(CC2S/C(=N/N=C/c3ccco3)NC2=O)cc1.
What is the InChIKey of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is GNZUBEWFZBQCLW-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-4-6-12(7-5-11)9-14-15(20)18-16(22-14)19-17-10-13-3-2-8-21-13/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+.
What are the key properties of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 313.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135472852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).