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

C17H15NO3S — CID 46231486

IUPAC5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1
InChIInChI=1S/C17H15NO3S/c1-11-3-2-4-14(9-11)21-13-7-5-12(6-8-13)10-15-16(19)18-17(20)22-15/h2-9,15H,10H2,1H3,(H,18,19,20)
InChIKeyZHJHHHSFBFWBLR-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.68
Rot. Bonds4

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

5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 46231486) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID46231486
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1
InChIInChI=1S/C17H15NO3S/c1-11-3-2-4-14(9-11)21-13-7-5-12(6-8-13)10-15-16(19)18-17(20)22-15/h2-9,15H,10H2,1H3,(H,18,19,20)
InChIKeyZHJHHHSFBFWBLR-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.68
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

Ciglitazone
CID 2750
Risarestat
CID 133264
Isaglitazone
CID 204109
Azemiglitazone
CID 25230266
Englitazone
CID 6918151
Thr-0921
CID 9958278
Tzd18
CID 9827261
Ploglitazone
CID 12944192
5-[[4-(4-Hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10200104
Ciglitazone, (R)-
CID 6604850
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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 46231486) is 5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1cccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1.
What is the InChIKey of 5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZHJHHHSFBFWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-11-3-2-4-14(9-11)21-13-7-5-12(6-8-13)10-15-16(19)18-17(20)22-15/h2-9,15H,10H2,1H3,(H,18,19,20).
What are the key properties of 5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 313.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46231486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).