3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one

C12H23NO3S — CID 3728626

IUPAC3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one
SMILESCCC(CC)C1SCC(=O)N1CCOCCO
InChIInChI=1S/C12H23NO3S/c1-3-10(4-2)12-13(11(15)9-17-12)5-7-16-8-6-14/h10,12,14H,3-9H2,1-2H3
InChIKeyJIIKQTLMSSDHPA-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.33
Rot. Bonds8

About 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one

3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one (PubChem CID 3728626) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one
PubChem CID3728626
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one
SMILESCCC(CC)C1SCC(=O)N1CCOCCO
InChIInChI=1S/C12H23NO3S/c1-3-10(4-2)12-13(11(15)9-17-12)5-7-16-8-6-14/h10,12,14H,3-9H2,1-2H3
InChIKeyJIIKQTLMSSDHPA-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one 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-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one (CID 3728626) is 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one is CCC(CC)C1SCC(=O)N1CCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one?
The InChIKey is JIIKQTLMSSDHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-3-10(4-2)12-13(11(15)9-17-12)5-7-16-8-6-14/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one?
3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one has a molecular weight of 261.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethyl]-2-pentan-3-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3728626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).