5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C25H19NO3S — CID 14459951

IUPAC5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(C(=O)/C=C/c3ccc(-c4ccccc4)cc3)cc2)S1
InChIInChI=1S/C25H19NO3S/c27-22(15-10-17-6-11-20(12-7-17)19-4-2-1-3-5-19)21-13-8-18(9-14-21)16-23-24(28)26-25(29)30-23/h1-15,23H,16H2,(H,26,28,29)/b15-10+
InChIKeyGVNGIEKYMGLXLD-XNTDXEJSSA-N
MW413.50 g/mol
LogP5.14
Rot. Bonds6

About 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 14459951) has the molecular formula C25H19NO3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID14459951
Molecular FormulaC25H19NO3S
Molecular Weight413.50 g/mol
Exact Mass413.11
IUPAC Name5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(C(=O)/C=C/c3ccc(-c4ccccc4)cc3)cc2)S1
InChIInChI=1S/C25H19NO3S/c27-22(15-10-17-6-11-20(12-7-17)19-4-2-1-3-5-19)21-13-8-18(9-14-21)16-23-24(28)26-25(29)30-23/h1-15,23H,16H2,(H,26,28,29)/b15-10+
InChIKeyGVNGIEKYMGLXLD-XNTDXEJSSA-N
XLogP5.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 14459951) is 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(C(=O)/C=C/c3ccc(-c4ccccc4)cc3)cc2)S1.
What is the InChIKey of 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is GVNGIEKYMGLXLD-XNTDXEJSSA-N. The full InChI is InChI=1S/C25H19NO3S/c27-22(15-10-17-6-11-20(12-7-17)19-4-2-1-3-5-19)21-13-8-18(9-14-21)16-23-24(28)26-25(29)30-23/h1-15,23H,16H2,(H,26,28,29)/b15-10+.
What are the key properties of 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 413.50 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 14459951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).