ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate

C6H8N2O3S — CID 163998883

IUPACethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate
SMILESC=COC(=O)C1CSC(=O)N1N
InChIInChI=1S/C6H8N2O3S/c1-2-11-5(9)4-3-12-6(10)8(4)7/h2,4H,1,3,7H2
InChIKeyUHDVDBQUMZMUTQ-UHFFFAOYSA-N
MW188.21 g/mol
LogP0.08
Rot. Bonds2

About ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate

ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate (PubChem CID 163998883) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate
PubChem CID163998883
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Nameethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate
SMILESC=COC(=O)C1CSC(=O)N1N
InChIInChI=1S/C6H8N2O3S/c1-2-11-5(9)4-3-12-6(10)8(4)7/h2,4H,1,3,7H2
InChIKeyUHDVDBQUMZMUTQ-UHFFFAOYSA-N
XLogP0.08
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate (CID 163998883) is ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate is C=COC(=O)C1CSC(=O)N1N.
What is the InChIKey of ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate?
The InChIKey is UHDVDBQUMZMUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-2-11-5(9)4-3-12-6(10)8(4)7/h2,4H,1,3,7H2.
What are the key properties of ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate?
ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate has a molecular weight of 188.21 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-amino-2-oxo-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 163998883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).