ethane;1,3-thiazolidin-4-one

C5H11NOS — CID 143338421

IUPACethane;1,3-thiazolidin-4-one
SMILESCC.O=C1CSCN1
InChIInChI=1S/C3H5NOS.C2H6/c5-3-1-6-2-4-3;1-2/h1-2H2,(H,4,5);1-2H3
InChIKeyNKGIJXTYXOQOHG-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.83
Rot. Bonds

About ethane;1,3-thiazolidin-4-one

ethane;1,3-thiazolidin-4-one (PubChem CID 143338421) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is ethane;1,3-thiazolidin-4-one.

Molecular Properties

Compound Nameethane;1,3-thiazolidin-4-one
PubChem CID143338421
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Nameethane;1,3-thiazolidin-4-one
SMILESCC.O=C1CSCN1
InChIInChI=1S/C3H5NOS.C2H6/c5-3-1-6-2-4-3;1-2/h1-2H2,(H,4,5);1-2H3
InChIKeyNKGIJXTYXOQOHG-UHFFFAOYSA-N
XLogP0.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;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 ethane;1,3-thiazolidin-4-one?
The IUPAC name of ethane;1,3-thiazolidin-4-one (CID 143338421) is ethane;1,3-thiazolidin-4-one.
What is the SMILES notation for ethane;1,3-thiazolidin-4-one?
The canonical SMILES for ethane;1,3-thiazolidin-4-one is CC.O=C1CSCN1.
What is the InChIKey of ethane;1,3-thiazolidin-4-one?
The InChIKey is NKGIJXTYXOQOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NOS.C2H6/c5-3-1-6-2-4-3;1-2/h1-2H2,(H,4,5);1-2H3.
What are the key properties of ethane;1,3-thiazolidin-4-one?
ethane;1,3-thiazolidin-4-one has a molecular weight of 133.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3-thiazolidin-4-one is sourced from PubChem (CID 143338421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).