5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione

C11H10ClNO3S — CID 22961927

IUPAC5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCOc2ccc(Cl)cc2)S1
InChIInChI=1S/C11H10ClNO3S/c12-7-1-3-8(4-2-7)16-6-5-9-10(14)13-11(15)17-9/h1-4,9H,5-6H2,(H,13,14,15)
InChIKeyAHSOQYOAFDHLQM-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.46
Rot. Bonds4

About 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione

5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 22961927) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID22961927
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC Name5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCOc2ccc(Cl)cc2)S1
InChIInChI=1S/C11H10ClNO3S/c12-7-1-3-8(4-2-7)16-6-5-9-10(14)13-11(15)17-9/h1-4,9H,5-6H2,(H,13,14,15)
InChIKeyAHSOQYOAFDHLQM-UHFFFAOYSA-N
XLogP2.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.46
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 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione (CID 22961927) is 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(CCOc2ccc(Cl)cc2)S1.
What is the InChIKey of 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is AHSOQYOAFDHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c12-7-1-3-8(4-2-7)16-6-5-9-10(14)13-11(15)17-9/h1-4,9H,5-6H2,(H,13,14,15).
What are the key properties of 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione?
5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 271.73 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 22961927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).