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

C16H15N3O2S — CID 6887521

IUPAC(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)CS/C1=N/N=C/c1ccco1
InChIInChI=1S/C16H15N3O2S/c1-12-5-2-3-6-13(12)10-19-15(20)11-22-16(19)18-17-9-14-7-4-8-21-14/h2-9H,10-11H2,1H3/b17-9+,18-16+
InChIKeyWCVDHARFGSOGSP-APBNWAIRSA-N
MW313.38 g/mol
LogP3.05
Rot. Bonds4

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

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 6887521) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID6887521
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1CN1C(=O)CS/C1=N/N=C/c1ccco1
InChIInChI=1S/C16H15N3O2S/c1-12-5-2-3-6-13(12)10-19-15(20)11-22-16(19)18-17-9-14-7-4-8-21-14/h2-9H,10-11H2,1H3/b17-9+,18-16+
InChIKeyWCVDHARFGSOGSP-APBNWAIRSA-N
XLogP3.05
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.05
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]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 6887521) is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is Cc1ccccc1CN1C(=O)CS/C1=N/N=C/c1ccco1.
What is the InChIKey of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is WCVDHARFGSOGSP-APBNWAIRSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-12-5-2-3-6-13(12)10-19-15(20)11-22-16(19)18-17-9-14-7-4-8-21-14/h2-9H,10-11H2,1H3/b17-9+,18-16+.
What are the key properties of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 313.38 g/mol, XLogP of 3.05, 4 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]-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6887521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).