4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one

C7H10N2O4S — CID 130522246

IUPAC4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one
SMILESO=C1NC(C(=O)N2CC(O)CO2)CS1
InChIInChI=1S/C7H10N2O4S/c10-4-1-9(13-2-4)6(11)5-3-14-7(12)8-5/h4-5,10H,1-3H2,(H,8,12)
InChIKeyUJJZHTMSYSWOGX-UHFFFAOYSA-N
MW218.23 g/mol
LogP-1.05
Rot. Bonds1

About 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one

4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one (PubChem CID 130522246) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one
PubChem CID130522246
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one
SMILESO=C1NC(C(=O)N2CC(O)CO2)CS1
InChIInChI=1S/C7H10N2O4S/c10-4-1-9(13-2-4)6(11)5-3-14-7(12)8-5/h4-5,10H,1-3H2,(H,8,12)
InChIKeyUJJZHTMSYSWOGX-UHFFFAOYSA-N
XLogP-1.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
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 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one?
The IUPAC name of 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one (CID 130522246) is 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one is O=C1NC(C(=O)N2CC(O)CO2)CS1.
What is the InChIKey of 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one?
The InChIKey is UJJZHTMSYSWOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c10-4-1-9(13-2-4)6(11)5-3-14-7(12)8-5/h4-5,10H,1-3H2,(H,8,12).
What are the key properties of 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one?
4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one has a molecular weight of 218.23 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-thiazolidin-2-one is sourced from PubChem (CID 130522246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).