benzyl 2-oxo-1,3-thiazolidine-3-carboxylate

C11H11NO3S — CID 86013885

IUPACbenzyl 2-oxo-1,3-thiazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1CCSC1=O
InChIInChI=1S/C11H11NO3S/c13-10(12-6-7-16-11(12)14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyDEHXCBVOUNDWJZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.49
Rot. Bonds2

About benzyl 2-oxo-1,3-thiazolidine-3-carboxylate

benzyl 2-oxo-1,3-thiazolidine-3-carboxylate (PubChem CID 86013885) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is benzyl 2-oxo-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-oxo-1,3-thiazolidine-3-carboxylate
PubChem CID86013885
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Namebenzyl 2-oxo-1,3-thiazolidine-3-carboxylate
SMILESO=C(OCc1ccccc1)N1CCSC1=O
InChIInChI=1S/C11H11NO3S/c13-10(12-6-7-16-11(12)14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyDEHXCBVOUNDWJZ-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 2-oxo-1,3-thiazolidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
benzyl 1,3-thiazolidine-3-carboxylate
CID 139958620
(3S)-2-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 172842635
benzyl piperidine-1-carboxylate
CID 158057698
benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
CID 22872591
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl (6Z)-10-oxo-2,3,4,5,8,9-hexahydroazecine-1-carboxylate
CID 10517395
benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate
CID 166438404
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
1-O-benzyl 3-O-methyl 2-oxopiperidine-1,3-dicarboxylate
CID 54081936

Frequently Asked Questions

What is the IUPAC name of benzyl 2-oxo-1,3-thiazolidine-3-carboxylate?
The IUPAC name of benzyl 2-oxo-1,3-thiazolidine-3-carboxylate (CID 86013885) is benzyl 2-oxo-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for benzyl 2-oxo-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for benzyl 2-oxo-1,3-thiazolidine-3-carboxylate is O=C(OCc1ccccc1)N1CCSC1=O.
What is the InChIKey of benzyl 2-oxo-1,3-thiazolidine-3-carboxylate?
The InChIKey is DEHXCBVOUNDWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-10(12-6-7-16-11(12)14)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of benzyl 2-oxo-1,3-thiazolidine-3-carboxylate?
benzyl 2-oxo-1,3-thiazolidine-3-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-oxo-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 86013885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).