5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione

C11H11NO3S — CID 14198894

IUPAC5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione
SMILESCC1SC(=O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C11H11NO3S/c1-8-10(13)12(11(14)16-8)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyJBRYLOVWBNYEMC-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.20
Rot. Bonds3

About 5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione

5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione (PubChem CID 14198894) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione
PubChem CID14198894
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione
SMILESCC1SC(=O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C11H11NO3S/c1-8-10(13)12(11(14)16-8)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyJBRYLOVWBNYEMC-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
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-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione (CID 14198894) is 5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione is CC1SC(=O)N(OCc2ccccc2)C1=O.
What is the InChIKey of 5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione?
The InChIKey is JBRYLOVWBNYEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-8-10(13)12(11(14)16-8)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione?
5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione has a molecular weight of 237.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 14198894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).