3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione

C9H16N2OS2 — CID 15475916

IUPAC3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1CCN1CCOCC1
InChIInChI=1S/C9H16N2OS2/c13-9-11(5-8-14-9)2-1-10-3-6-12-7-4-10/h1-8H2
InChIKeyHLZUFMFYGOZVRE-UHFFFAOYSA-N
MW232.37 g/mol
LogP0.65
Rot. Bonds3

About 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione

3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione (PubChem CID 15475916) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione
PubChem CID15475916
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione
SMILESS=C1SCCN1CCN1CCOCC1
InChIInChI=1S/C9H16N2OS2/c13-9-11(5-8-14-9)2-1-10-3-6-12-7-4-10/h1-8H2
InChIKeyHLZUFMFYGOZVRE-UHFFFAOYSA-N
XLogP0.65
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione (CID 15475916) is 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione is S=C1SCCN1CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione?
The InChIKey is HLZUFMFYGOZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c13-9-11(5-8-14-9)2-1-10-3-6-12-7-4-10/h1-8H2.
What are the key properties of 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione?
3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione has a molecular weight of 232.37 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 15475916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).