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

C7H11NO3S — CID 86183559

IUPAC3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
SMILESCOCCCN1C(=O)CSC1=O
InChIInChI=1S/C7H11NO3S/c1-11-4-2-3-8-6(9)5-12-7(8)10/h2-5H2,1H3
InChIKeyIRVGFGRNQMXCGI-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.72
Rot. Bonds4

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

3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 86183559) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
PubChem CID86183559
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
SMILESCOCCCN1C(=O)CSC1=O
InChIInChI=1S/C7H11NO3S/c1-11-4-2-3-8-6(9)5-12-7(8)10/h2-5H2,1H3
InChIKeyIRVGFGRNQMXCGI-UHFFFAOYSA-N
XLogP0.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione (CID 86183559) is 3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione is COCCCN1C(=O)CSC1=O.
What is the InChIKey of 3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is IRVGFGRNQMXCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-11-4-2-3-8-6(9)5-12-7(8)10/h2-5H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 189.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 86183559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).