(5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C19H13NO3S — CID 53376469

IUPAC(5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3ccccc3)cc2)S1
InChIInChI=1S/C19H13NO3S/c21-16(15-4-2-1-3-5-15)11-10-13-6-8-14(9-7-13)12-17-18(22)20-19(23)24-17/h1-12H,(H,20,22,23)/b11-10+,17-12-
InChIKeyDSSRXANDQKPNML-ATRNFBLSSA-N
MW335.38 g/mol
LogP3.91
Rot. Bonds4

About (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 53376469) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID53376469
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name(5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3ccccc3)cc2)S1
InChIInChI=1S/C19H13NO3S/c21-16(15-4-2-1-3-5-15)11-10-13-6-8-14(9-7-13)12-17-18(22)20-19(23)24-17/h1-12H,(H,20,22,23)/b11-10+,17-12-
InChIKeyDSSRXANDQKPNML-ATRNFBLSSA-N
XLogP3.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.91
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 (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

2-[2-(4-Methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 830027
2-(2-Oxo-2-phenylethylidene)-1,3-thiazolidin-4-one
CID 870646
5-[(4-Benzoylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 46231483
5-[(4-Phenylphenyl)methylene]-1,3-thiazolidine-2,4-dione
CID 10446453
5-{[4-(3-Phenylpropanoyl)phenyl]methyl}-1,3-thiazolidine-2,4-dione
CID 14459913
5-[4-(4-Phenylbutyryl)benzyl]thiazolidine-2,4-dione
CID 14459938
(E)-5-[4-(3-Phenyl-2-propenoyl)benzyl]thiazolidine-2,4-dione
CID 14459942
(5Z)-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 53329766
5-[[4-[3-(4-Phenylphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459919
5-[[4-[(E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459945
5-[[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459948
5-[[4-[(E)-3-(4-phenylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459951

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 53376469) is (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(/C=C/C(=O)c3ccccc3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DSSRXANDQKPNML-ATRNFBLSSA-N. The full InChI is InChI=1S/C19H13NO3S/c21-16(15-4-2-1-3-5-15)11-10-13-6-8-14(9-7-13)12-17-18(22)20-19(23)24-17/h1-12H,(H,20,22,23)/b11-10+,17-12-.
What are the key properties of (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 335.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 53376469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).