5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

C9H12N2O4S — CID 2887746

IUPAC5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(CC(=O)N2CCOCC2)S1
InChIInChI=1S/C9H12N2O4S/c12-7(11-1-3-15-4-2-11)5-6-8(13)10-9(14)16-6/h6H,1-5H2,(H,10,13,14)
InChIKeyIZFFXRBGTCDXEO-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.41
Rot. Bonds2

About 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 2887746) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
PubChem CID2887746
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(CC(=O)N2CCOCC2)S1
InChIInChI=1S/C9H12N2O4S/c12-7(11-1-3-15-4-2-11)5-6-8(13)10-9(14)16-6/h6H,1-5H2,(H,10,13,14)
InChIKeyIZFFXRBGTCDXEO-UHFFFAOYSA-N
XLogP-0.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione (CID 2887746) is 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(CC(=O)N2CCOCC2)S1.
What is the InChIKey of 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is IZFFXRBGTCDXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-7(11-1-3-15-4-2-11)5-6-8(13)10-9(14)16-6/h6H,1-5H2,(H,10,13,14).
What are the key properties of 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione?
5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 244.27 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2887746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).