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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Related Compounds

3-(6-chlorohexyl)-1,3-thiazolidine-2,4-dione
CID 62228177
3-(9-bromononyl)-1,3-thiazolidine-2,4-dione
CID 105343066
3-(2-fluoroethyl)-1,3-thiazolidine-2,4-dione
CID 126990912
3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
1-(3-chloropropyl)pyrrolidine-2,5-dione
CID 16788086
methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanoate
CID 43378323
3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 19712409
6-amino-4-(3-chloropropyl)-1,4-benzothiazin-3-one
CID 115215433
5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide
CID 139517059
N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide
CID 166506283
3-[3-(3-aminophenoxy)propyl]-1,3-thiazolidine-2,4-dione
CID 43365706
1-(3-chloropropyl)piperazine-2,6-dione
CID 21245750

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).