3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

C12H15ClN2O4S — CID 22370230

IUPAC3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.NOCCOc1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C12H14N2O4S.ClH/c13-18-6-5-17-10-3-1-9(2-4-10)7-14-11(15)8-19-12(14)16;/h1-4H,5-8,13H2;1H
InChIKeyKLMBLBBJAXARLI-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.57
Rot. Bonds6

About 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride

3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (PubChem CID 22370230) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
PubChem CID22370230
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
SMILESCl.NOCCOc1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C12H14N2O4S.ClH/c13-18-6-5-17-10-3-1-9(2-4-10)7-14-11(15)8-19-12(14)16;/h1-4H,5-8,13H2;1H
InChIKeyKLMBLBBJAXARLI-UHFFFAOYSA-N
XLogP1.57
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride 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 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride (CID 22370230) is 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is Cl.NOCCOc1ccc(CN2C(=O)CSC2=O)cc1.
What is the InChIKey of 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
The InChIKey is KLMBLBBJAXARLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S.ClH/c13-18-6-5-17-10-3-1-9(2-4-10)7-14-11(15)8-19-12(14)16;/h1-4H,5-8,13H2;1H.
What are the key properties of 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride?
3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride has a molecular weight of 318.78 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 22370230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).