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

C23H19NO3S — CID 58498633

IUPAC5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)S1
InChIInChI=1S/C23H19NO3S/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/h1-13,21H,14-15H2,(H,24,25,26)
InChIKeyUAQPUEOESXIINP-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.83
Rot. Bonds6

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

5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 58498633) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID58498633
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)S1
InChIInChI=1S/C23H19NO3S/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/h1-13,21H,14-15H2,(H,24,25,26)
InChIKeyUAQPUEOESXIINP-UHFFFAOYSA-N
XLogP4.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 58498633) is 5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)S1.
What is the InChIKey of 5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is UAQPUEOESXIINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/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/h1-13,21H,14-15H2,(H,24,25,26).
What are the key properties of 5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 389.48 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-phenylphenyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 58498633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).