(5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C23H17NO3S — CID 46836469

IUPAC(5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)S1
InChIInChI=1S/C23H17NO3S/c25-22-21(28-23(26)24-22)14-16-8-12-20(13-9-16)27-15-17-6-10-19(11-7-17)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25,26)/b21-14-
InChIKeyGXKYVWHQZWKKSM-STZFKDTASA-N
MW387.46 g/mol
LogP5.26
Rot. Bonds5

About (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 46836469) has the molecular formula C23H17NO3S and a molecular weight of 387.46 g/mol. Its IUPAC name is (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID46836469
Molecular FormulaC23H17NO3S
Molecular Weight387.46 g/mol
Exact Mass387.09
IUPAC Name(5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)S1
InChIInChI=1S/C23H17NO3S/c25-22-21(28-23(26)24-22)14-16-8-12-20(13-9-16)27-15-17-6-10-19(11-7-17)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25,26)/b21-14-
InChIKeyGXKYVWHQZWKKSM-STZFKDTASA-N
XLogP5.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.26
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 46836469) is (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)S1.
What is the InChIKey of (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GXKYVWHQZWKKSM-STZFKDTASA-N. The full InChI is InChI=1S/C23H17NO3S/c25-22-21(28-23(26)24-22)14-16-8-12-20(13-9-16)27-15-17-6-10-19(11-7-17)18-4-2-1-3-5-18/h1-14H,15H2,(H,24,25,26)/b21-14-.
What are the key properties of (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 387.46 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[(4-phenylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46836469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).