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

C11H11NO3S — CID 68809970

IUPAC4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione
SMILESCOc1ccc(CC2NC(=O)SC2=O)cc1
InChIInChI=1S/C11H11NO3S/c1-15-8-4-2-7(3-5-8)6-9-10(13)16-11(14)12-9/h2-5,9H,6H2,1H3,(H,12,14)
InChIKeyOFNFKWYYJQLCFZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.59
Rot. Bonds3

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

4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 68809970) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione
PubChem CID68809970
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione
SMILESCOc1ccc(CC2NC(=O)SC2=O)cc1
InChIInChI=1S/C11H11NO3S/c1-15-8-4-2-7(3-5-8)6-9-10(13)16-11(14)12-9/h2-5,9H,6H2,1H3,(H,12,14)
InChIKeyOFNFKWYYJQLCFZ-UHFFFAOYSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.59
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 4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione (CID 68809970) is 4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione is COc1ccc(CC2NC(=O)SC2=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is OFNFKWYYJQLCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-15-8-4-2-7(3-5-8)6-9-10(13)16-11(14)12-9/h2-5,9H,6H2,1H3,(H,12,14).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione?
4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 237.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 68809970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).