1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate

C8H11NO3S — CID 118174001

IUPAC1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N1CCSC1=O
InChIInChI=1S/C8H11NO3S/c1-3-7(10)12-6(2)9-4-5-13-8(9)11/h3,6H,1,4-5H2,2H3
InChIKeyHFRBCSKQEMVMNL-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.23
Rot. Bonds3

About 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate

1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate (PubChem CID 118174001) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate
PubChem CID118174001
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OC(C)N1CCSC1=O
InChIInChI=1S/C8H11NO3S/c1-3-7(10)12-6(2)9-4-5-13-8(9)11/h3,6H,1,4-5H2,2H3
InChIKeyHFRBCSKQEMVMNL-UHFFFAOYSA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate?
The IUPAC name of 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate (CID 118174001) is 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate.
What is the SMILES notation for 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate?
The canonical SMILES for 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate is C=CC(=O)OC(C)N1CCSC1=O.
What is the InChIKey of 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate?
The InChIKey is HFRBCSKQEMVMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-3-7(10)12-6(2)9-4-5-13-8(9)11/h3,6H,1,4-5H2,2H3.
What are the key properties of 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate?
1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate has a molecular weight of 201.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-thiazolidin-3-yl)ethyl prop-2-enoate is sourced from PubChem (CID 118174001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).