(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

C16H13N3O2S — CID 90675486

IUPAC(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\C=C\c2ccco2)N1c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-15-12-22-16(19(15)13-6-2-1-3-7-13)18-17-10-4-8-14-9-5-11-21-14/h1-11H,12H2/b8-4+,17-10+,18-16-
InChIKeyHPPZXQFKPIZMNE-KDKCLADISA-N
MW311.37 g/mol
LogP3.41
Rot. Bonds4

About (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 90675486) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
PubChem CID90675486
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\C=C\c2ccco2)N1c1ccccc1
InChIInChI=1S/C16H13N3O2S/c20-15-12-22-16(19(15)13-6-2-1-3-7-13)18-17-10-4-8-14-9-5-11-21-14/h1-11H,12H2/b8-4+,17-10+,18-16-
InChIKeyHPPZXQFKPIZMNE-KDKCLADISA-N
XLogP3.41
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_B(3)', 'substructure': 'N/A'}, {'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 (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 90675486) is (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C\C=C\c2ccco2)N1c1ccccc1.
What is the InChIKey of (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is HPPZXQFKPIZMNE-KDKCLADISA-N. The full InChI is InChI=1S/C16H13N3O2S/c20-15-12-22-16(19(15)13-6-2-1-3-7-13)18-17-10-4-8-14-9-5-11-21-14/h1-11H,12H2/b8-4+,17-10+,18-16-.
What are the key properties of (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 311.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]hydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 90675486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).