3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one

C7H6ClN3OS — CID 132608317

IUPAC3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one
SMILESO=C1SCCN1c1ccnc(Cl)n1
InChIInChI=1S/C7H6ClN3OS/c8-6-9-2-1-5(10-6)11-3-4-13-7(11)12/h1-2H,3-4H2
InChIKeyWDSIZHSNQCDGGE-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.80
Rot. Bonds1

About 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one

3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one (PubChem CID 132608317) has the molecular formula C7H6ClN3OS and a molecular weight of 215.66 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one
PubChem CID132608317
Molecular FormulaC7H6ClN3OS
Molecular Weight215.66 g/mol
Exact Mass214.99
IUPAC Name3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one
SMILESO=C1SCCN1c1ccnc(Cl)n1
InChIInChI=1S/C7H6ClN3OS/c8-6-9-2-1-5(10-6)11-3-4-13-7(11)12/h1-2H,3-4H2
InChIKeyWDSIZHSNQCDGGE-UHFFFAOYSA-N
XLogP1.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one (CID 132608317) is 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one is O=C1SCCN1c1ccnc(Cl)n1.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one?
The InChIKey is WDSIZHSNQCDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3OS/c8-6-9-2-1-5(10-6)11-3-4-13-7(11)12/h1-2H,3-4H2.
What are the key properties of 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one?
3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one has a molecular weight of 215.66 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 132608317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).