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

C5H9NO2S — CID 12743043

IUPAC4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one
SMILESCC1SC(=O)N(C)C1O
InChIInChI=1S/C5H9NO2S/c1-3-4(7)6(2)5(8)9-3/h3-4,7H,1-2H3
InChIKeyARHGJXNEMMBPRN-UHFFFAOYSA-N
MW147.20 g/mol
LogP0.49
Rot. Bonds

About 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one

4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one (PubChem CID 12743043) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one
PubChem CID12743043
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one
SMILESCC1SC(=O)N(C)C1O
InChIInChI=1S/C5H9NO2S/c1-3-4(7)6(2)5(8)9-3/h3-4,7H,1-2H3
InChIKeyARHGJXNEMMBPRN-UHFFFAOYSA-N
XLogP0.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.49
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 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one?
The IUPAC name of 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one (CID 12743043) is 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one?
The canonical SMILES for 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one is CC1SC(=O)N(C)C1O.
What is the InChIKey of 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one?
The InChIKey is ARHGJXNEMMBPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-3-4(7)6(2)5(8)9-3/h3-4,7H,1-2H3.
What are the key properties of 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one?
4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one has a molecular weight of 147.20 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 12743043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).