3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione

C6H8ClNO2S — CID 16790896

IUPAC3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCCl
InChIInChI=1S/C6H8ClNO2S/c7-2-1-3-8-5(9)4-11-6(8)10/h1-4H2
InChIKeyOQZNQUMQHVVJFH-UHFFFAOYSA-N
MW193.65 g/mol
LogP1.31
Rot. Bonds3

About 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione

3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 16790896) has the molecular formula C6H8ClNO2S and a molecular weight of 193.65 g/mol. Its IUPAC name is 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione
PubChem CID16790896
Molecular FormulaC6H8ClNO2S
Molecular Weight193.65 g/mol
Exact Mass193.00
IUPAC Name3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCCCl
InChIInChI=1S/C6H8ClNO2S/c7-2-1-3-8-5(9)4-11-6(8)10/h1-4H2
InChIKeyOQZNQUMQHVVJFH-UHFFFAOYSA-N
XLogP1.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.65
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione (CID 16790896) is 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCCCl.
What is the InChIKey of 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is OQZNQUMQHVVJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2S/c7-2-1-3-8-5(9)4-11-6(8)10/h1-4H2.
What are the key properties of 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione?
3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 193.65 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 16790896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).