3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one

C11H10ClNO2S — CID 22075592

IUPAC3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2S/c12-9-3-1-8(2-4-9)10(14)7-13-5-6-16-11(13)15/h1-4H,5-7H2
InChIKeyCSJMRORJGWYHCS-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.69
Rot. Bonds3

About 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one

3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one (PubChem CID 22075592) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
PubChem CID22075592
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
SMILESO=C(CN1CCSC1=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2S/c12-9-3-1-8(2-4-9)10(14)7-13-5-6-16-11(13)15/h1-4H,5-7H2
InChIKeyCSJMRORJGWYHCS-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one (CID 22075592) is 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one is O=C(CN1CCSC1=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one?
The InChIKey is CSJMRORJGWYHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c12-9-3-1-8(2-4-9)10(14)7-13-5-6-16-11(13)15/h1-4H,5-7H2.
What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one?
3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one has a molecular weight of 255.73 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]-1,3-thiazolidin-2-one is sourced from PubChem (CID 22075592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).