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

C4H7NOS — CID 126650042

IUPAC2-methyl-1,3-thiazolidin-5-one
SMILESCC1NCC(=O)S1
InChIInChI=1S/C4H7NOS/c1-3-5-2-4(6)7-3/h3,5H,2H2,1H3
InChIKeyOIRFHCXPYLVVJC-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.20
Rot. Bonds

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

2-methyl-1,3-thiazolidin-5-one (PubChem CID 126650042) has the molecular formula C4H7NOS and a molecular weight of 117.17 g/mol. Its IUPAC name is 2-methyl-1,3-thiazolidin-5-one.

Molecular Properties

Compound Name2-methyl-1,3-thiazolidin-5-one
PubChem CID126650042
Molecular FormulaC4H7NOS
Molecular Weight117.17 g/mol
Exact Mass117.02
IUPAC Name2-methyl-1,3-thiazolidin-5-one
SMILESCC1NCC(=O)S1
InChIInChI=1S/C4H7NOS/c1-3-5-2-4(6)7-3/h3,5H,2H2,1H3
InChIKeyOIRFHCXPYLVVJC-UHFFFAOYSA-N
XLogP0.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazolidin-5-one?
The IUPAC name of 2-methyl-1,3-thiazolidin-5-one (CID 126650042) is 2-methyl-1,3-thiazolidin-5-one.
What is the SMILES notation for 2-methyl-1,3-thiazolidin-5-one?
The canonical SMILES for 2-methyl-1,3-thiazolidin-5-one is CC1NCC(=O)S1.
What is the InChIKey of 2-methyl-1,3-thiazolidin-5-one?
The InChIKey is OIRFHCXPYLVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS/c1-3-5-2-4(6)7-3/h3,5H,2H2,1H3.
What are the key properties of 2-methyl-1,3-thiazolidin-5-one?
2-methyl-1,3-thiazolidin-5-one has a molecular weight of 117.17 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazolidin-5-one is sourced from PubChem (CID 126650042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).