3-ethenyl-1,3-thiazolidin-2-one

C5H7NOS — CID 14094555

IUPAC3-ethenyl-1,3-thiazolidin-2-one
SMILESC=CN1CCSC1=O
InChIInChI=1S/C5H7NOS/c1-2-6-3-4-8-5(6)7/h2H,1,3-4H2
InChIKeyKCOXLAADFCGUAP-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.30
Rot. Bonds1

About 3-ethenyl-1,3-thiazolidin-2-one

3-ethenyl-1,3-thiazolidin-2-one (PubChem CID 14094555) has the molecular formula C5H7NOS and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-ethenyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-ethenyl-1,3-thiazolidin-2-one
PubChem CID14094555
Molecular FormulaC5H7NOS
Molecular Weight129.18 g/mol
Exact Mass129.02
IUPAC Name3-ethenyl-1,3-thiazolidin-2-one
SMILESC=CN1CCSC1=O
InChIInChI=1S/C5H7NOS/c1-2-6-3-4-8-5(6)7/h2H,1,3-4H2
InChIKeyKCOXLAADFCGUAP-UHFFFAOYSA-N
XLogP1.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,3-thiazolidin-2-one?
The IUPAC name of 3-ethenyl-1,3-thiazolidin-2-one (CID 14094555) is 3-ethenyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-ethenyl-1,3-thiazolidin-2-one?
The canonical SMILES for 3-ethenyl-1,3-thiazolidin-2-one is C=CN1CCSC1=O.
What is the InChIKey of 3-ethenyl-1,3-thiazolidin-2-one?
The InChIKey is KCOXLAADFCGUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS/c1-2-6-3-4-8-5(6)7/h2H,1,3-4H2.
What are the key properties of 3-ethenyl-1,3-thiazolidin-2-one?
3-ethenyl-1,3-thiazolidin-2-one has a molecular weight of 129.18 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 14094555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).