5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

C20H15NO3S — CID 46231598

IUPAC5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(Oc3cccc4ccccc34)cc2)S1
InChIInChI=1S/C20H15NO3S/c22-19-18(25-20(23)21-19)12-13-8-10-15(11-9-13)24-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18H,12H2,(H,21,22,23)
InChIKeySQYFAZFHLJUQJF-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.53
Rot. Bonds4

About 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione

5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 46231598) has the molecular formula C20H15NO3S and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID46231598
Molecular FormulaC20H15NO3S
Molecular Weight349.41 g/mol
Exact Mass349.08
IUPAC Name5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(Oc3cccc4ccccc34)cc2)S1
InChIInChI=1S/C20H15NO3S/c22-19-18(25-20(23)21-19)12-13-8-10-15(11-9-13)24-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18H,12H2,(H,21,22,23)
InChIKeySQYFAZFHLJUQJF-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Isaglitazone
CID 204109
Englitazone
CID 6918151
Ploglitazone
CID 12944192
5-[3-Fluoro-4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9805806
5-[4-[3-(4-Phenoxy-2-propylphenoxy)propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9826325
5-[3-[4-(4-Phenoxy-2-propylphenoxy)butoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9826930
5-[4-[4-(4-Phenoxy-2-propylphenoxy)butoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9870252
5-[4-[3-(4-Phenoxy-2-propylphenoxy)propoxy]-3-propylphenyl]-1,3-thiazolidine-2,4-dione
CID 9958289
5-[[4-(4-Fluorophenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 9995943
5-[4-[3-[4-(4-Phenylphenoxy)-2-propylphenoxy]propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 12017338
5-[(4-Phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 12830931
5-[4-[3-[4-(4-Fluorophenoxy)-2-propylphenoxy]propoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 22459005

Frequently Asked Questions

What is the IUPAC name of 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 46231598) is 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(Oc3cccc4ccccc34)cc2)S1.
What is the InChIKey of 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is SQYFAZFHLJUQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3S/c22-19-18(25-20(23)21-19)12-13-8-10-15(11-9-13)24-17-7-3-5-14-4-1-2-6-16(14)17/h1-11,18H,12H2,(H,21,22,23).
What are the key properties of 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 349.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-naphthalen-1-yloxyphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46231598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).