(5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C23H19NO3S2 — CID 126149900

IUPAC(5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C23H19NO3S2/c25-22-20(16-18-13-14-21(27-18)28-19-11-5-2-6-12-19)29-23(26)24(22)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2/b20-16+
InChIKeyMTOHSCHGNDVQBM-CAPFRKAQSA-N
MW421.54 g/mol
LogP6.10
Rot. Bonds7

About (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126149900) has the molecular formula C23H19NO3S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126149900
Molecular FormulaC23H19NO3S2
Molecular Weight421.54 g/mol
Exact Mass421.08
IUPAC Name(5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1CCCc1ccccc1
InChIInChI=1S/C23H19NO3S2/c25-22-20(16-18-13-14-21(27-18)28-19-11-5-2-6-12-19)29-23(26)24(22)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2/b20-16+
InChIKeyMTOHSCHGNDVQBM-CAPFRKAQSA-N
XLogP6.10
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

(5E)-5-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CID 126138071
ethyl 2-[(5Z)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 2289587
butyl 2-[(5Z)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 126210097
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CID 126132921
(5E)-3-(2-methoxyethyl)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126140538
methyl 2-[5-[(E)-[2,4-dioxo-3-(3-phenylpropyl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 126133341
3-[5-[(E)-[2,4-dioxo-3-(3-phenylpropyl)-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-4-methylbenzoic acid
CID 126138825
(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1317953
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one
CID 135024367
(5E)-3-(3-chlorophenyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126224571
2-[(5Z)-2,4-dioxo-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 126150571
(5E)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 126217529

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 126149900) is (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1CCCc1ccccc1.
What is the InChIKey of (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MTOHSCHGNDVQBM-CAPFRKAQSA-N. The full InChI is InChI=1S/C23H19NO3S2/c25-22-20(16-18-13-14-21(27-18)28-19-11-5-2-6-12-19)29-23(26)24(22)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2/b20-16+.
What are the key properties of (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 421.54 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126149900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).