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

C18H17NO3S — CID 46231488

IUPAC5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(C)cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1
InChIInChI=1S/C18H17NO3S/c1-11-7-12(2)9-15(8-11)22-14-5-3-13(4-6-14)10-16-17(20)19-18(21)23-16/h3-9,16H,10H2,1-2H3,(H,19,20,21)
InChIKeyDSECPCWCNQBQNK-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.99
Rot. Bonds4

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

5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 46231488) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID46231488
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(C)cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1
InChIInChI=1S/C18H17NO3S/c1-11-7-12(2)9-15(8-11)22-14-5-3-13(4-6-14)10-16-17(20)19-18(21)23-16/h3-9,16H,10H2,1-2H3,(H,19,20,21)
InChIKeyDSECPCWCNQBQNK-UHFFFAOYSA-N
XLogP3.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione with MolForge

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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
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
5-[3-[4-(4-Phenoxy-2-propylphenoxy)butoxy]phenyl]-1,3-thiazolidine-2,4-dione
CID 9826930

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 46231488) is 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1cc(C)cc(Oc2ccc(CC3SC(=O)NC3=O)cc2)c1.
What is the InChIKey of 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is DSECPCWCNQBQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-11-7-12(2)9-15(8-11)22-14-5-3-13(4-6-14)10-16-17(20)19-18(21)23-16/h3-9,16H,10H2,1-2H3,(H,19,20,21).
What are the key properties of 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 327.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3,5-dimethylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46231488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).