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

C19H19N3O2S — CID 2855983

IUPAC2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(Cc2ccc(C)cc2)SC1=NN=Cc1ccco1
InChIInChI=1S/C19H19N3O2S/c1-3-10-22-18(23)17(12-15-8-6-14(2)7-9-15)25-19(22)21-20-13-16-5-4-11-24-16/h3-9,11,13,17H,1,10,12H2,2H3
InChIKeyXKBNQNLRNWATHJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.65
Rot. Bonds6

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

2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 2855983) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID2855983
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(Cc2ccc(C)cc2)SC1=NN=Cc1ccco1
InChIInChI=1S/C19H19N3O2S/c1-3-10-22-18(23)17(12-15-8-6-14(2)7-9-15)25-19(22)21-20-13-16-5-4-11-24-16/h3-9,11,13,17H,1,10,12H2,2H3
InChIKeyXKBNQNLRNWATHJ-UHFFFAOYSA-N
XLogP3.65
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 2855983) is 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)C(Cc2ccc(C)cc2)SC1=NN=Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is XKBNQNLRNWATHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-10-22-18(23)17(12-15-8-6-14(2)7-9-15)25-19(22)21-20-13-16-5-4-11-24-16/h3-9,11,13,17H,1,10,12H2,2H3.
What are the key properties of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one?
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 353.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2855983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).