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

C18H19N3O2S — CID 6160635

IUPAC(2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC/C(=N\N=C1\SC(C)C(=O)N1Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-3-16(14-8-5-4-6-9-14)19-20-18-21(17(22)13(2)24-18)12-15-10-7-11-23-15/h4-11,13H,3,12H2,1-2H3/b19-16+,20-18+
InChIKeyIOQGCFQJRDDVBG-LUJNFERBSA-N
MW341.44 g/mol
LogP3.91
Rot. Bonds5

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

(2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 6160635) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID6160635
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC/C(=N\N=C1\SC(C)C(=O)N1Cc1ccco1)c1ccccc1
InChIInChI=1S/C18H19N3O2S/c1-3-16(14-8-5-4-6-9-14)19-20-18-21(17(22)13(2)24-18)12-15-10-7-11-23-15/h4-11,13H,3,12H2,1-2H3/b19-16+,20-18+
InChIKeyIOQGCFQJRDDVBG-LUJNFERBSA-N
XLogP3.91
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.91
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'}

Analyze (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 6160635) is (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC/C(=N\N=C1\SC(C)C(=O)N1Cc1ccco1)c1ccccc1.
What is the InChIKey of (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is IOQGCFQJRDDVBG-LUJNFERBSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-3-16(14-8-5-4-6-9-14)19-20-18-21(17(22)13(2)24-18)12-15-10-7-11-23-15/h4-11,13H,3,12H2,1-2H3/b19-16+,20-18+.
What are the key properties of (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 341.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(furan-2-ylmethyl)-5-methyl-2-[(E)-1-phenylpropylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6160635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).