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

C15H10ClNO3S — CID 87796180

IUPAC5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(Oc3ccc(Cl)cc3)cc2)S1
InChIInChI=1S/C15H10ClNO3S/c16-10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13-14(18)17-15(19)21-13/h1-8,13H,(H,17,18,19)
InChIKeyPJRYRSHTAAVTGP-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.16
Rot. Bonds3

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

5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione (PubChem CID 87796180) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is 5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione
PubChem CID87796180
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Name5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2ccc(Oc3ccc(Cl)cc3)cc2)S1
InChIInChI=1S/C15H10ClNO3S/c16-10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13-14(18)17-15(19)21-13/h1-8,13H,(H,17,18,19)
InChIKeyPJRYRSHTAAVTGP-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.16
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-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione (CID 87796180) is 5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(c2ccc(Oc3ccc(Cl)cc3)cc2)S1.
What is the InChIKey of 5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is PJRYRSHTAAVTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c16-10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13-14(18)17-15(19)21-13/h1-8,13H,(H,17,18,19).
What are the key properties of 5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione?
5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 319.77 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87796180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).