5,5-dimethyl-1,3-thiazolidin-2-one

C5H9NOS — CID 12749089

IUPAC5,5-dimethyl-1,3-thiazolidin-2-one
SMILESCC1(C)CNC(=O)S1
InChIInChI=1S/C5H9NOS/c1-5(2)3-6-4(7)8-5/h3H2,1-2H3,(H,6,7)
InChIKeyNFLCFGPQALXXGP-UHFFFAOYSA-N
MW131.20 g/mol
LogP1.22
Rot. Bonds

About 5,5-dimethyl-1,3-thiazolidin-2-one

5,5-dimethyl-1,3-thiazolidin-2-one (PubChem CID 12749089) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 5,5-dimethyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-1,3-thiazolidin-2-one
PubChem CID12749089
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name5,5-dimethyl-1,3-thiazolidin-2-one
SMILESCC1(C)CNC(=O)S1
InChIInChI=1S/C5H9NOS/c1-5(2)3-6-4(7)8-5/h3H2,1-2H3,(H,6,7)
InChIKeyNFLCFGPQALXXGP-UHFFFAOYSA-N
XLogP1.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-1,3-thiazolidin-2-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 5,5-dimethyl-1,3-thiazolidin-2-one?
The IUPAC name of 5,5-dimethyl-1,3-thiazolidin-2-one (CID 12749089) is 5,5-dimethyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-1,3-thiazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-1,3-thiazolidin-2-one is CC1(C)CNC(=O)S1.
What is the InChIKey of 5,5-dimethyl-1,3-thiazolidin-2-one?
The InChIKey is NFLCFGPQALXXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-5(2)3-6-4(7)8-5/h3H2,1-2H3,(H,6,7).
What are the key properties of 5,5-dimethyl-1,3-thiazolidin-2-one?
5,5-dimethyl-1,3-thiazolidin-2-one has a molecular weight of 131.20 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 12749089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).