2-methylsulfanyl-1,3-thiazolidin-4-one

C4H7NOS2 — CID 144806375

IUPAC2-methylsulfanyl-1,3-thiazolidin-4-one
SMILESCSC1NC(=O)CS1
InChIInChI=1S/C4H7NOS2/c1-7-4-5-3(6)2-8-4/h4H,2H2,1H3,(H,5,6)
InChIKeyRNWSZKUVTRMULZ-UHFFFAOYSA-N
MW149.24 g/mol
LogP0.50
Rot. Bonds1

About 2-methylsulfanyl-1,3-thiazolidin-4-one

2-methylsulfanyl-1,3-thiazolidin-4-one (PubChem CID 144806375) has the molecular formula C4H7NOS2 and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-methylsulfanyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-1,3-thiazolidin-4-one
PubChem CID144806375
Molecular FormulaC4H7NOS2
Molecular Weight149.24 g/mol
Exact Mass149.00
IUPAC Name2-methylsulfanyl-1,3-thiazolidin-4-one
SMILESCSC1NC(=O)CS1
InChIInChI=1S/C4H7NOS2/c1-7-4-5-3(6)2-8-4/h4H,2H2,1H3,(H,5,6)
InChIKeyRNWSZKUVTRMULZ-UHFFFAOYSA-N
XLogP0.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-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 2-methylsulfanyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-methylsulfanyl-1,3-thiazolidin-4-one (CID 144806375) is 2-methylsulfanyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-methylsulfanyl-1,3-thiazolidin-4-one is CSC1NC(=O)CS1.
What is the InChIKey of 2-methylsulfanyl-1,3-thiazolidin-4-one?
The InChIKey is RNWSZKUVTRMULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS2/c1-7-4-5-3(6)2-8-4/h4H,2H2,1H3,(H,5,6).
What are the key properties of 2-methylsulfanyl-1,3-thiazolidin-4-one?
2-methylsulfanyl-1,3-thiazolidin-4-one has a molecular weight of 149.24 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 144806375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).