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

C7H13NOS — CID 174786897

IUPAC3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one
SMILESCCN1CC(=O)SC1(C)C
InChIInChI=1S/C7H13NOS/c1-4-8-5-6(9)10-7(8,2)3/h4-5H2,1-3H3
InChIKeyZRAOLLBNBNJJQF-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.32
Rot. Bonds1

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

3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one (PubChem CID 174786897) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one.

Molecular Properties

Compound Name3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one
PubChem CID174786897
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one
SMILESCCN1CC(=O)SC1(C)C
InChIInChI=1S/C7H13NOS/c1-4-8-5-6(9)10-7(8,2)3/h4-5H2,1-3H3
InChIKeyZRAOLLBNBNJJQF-UHFFFAOYSA-N
XLogP1.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.32
H-Bond Donors ≤ 50
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 3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one?
The IUPAC name of 3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one (CID 174786897) is 3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one.
What is the SMILES notation for 3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one?
The canonical SMILES for 3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one is CCN1CC(=O)SC1(C)C.
What is the InChIKey of 3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one?
The InChIKey is ZRAOLLBNBNJJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-4-8-5-6(9)10-7(8,2)3/h4-5H2,1-3H3.
What are the key properties of 3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one?
3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one has a molecular weight of 159.25 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-dimethyl-1,3-thiazolidin-5-one is sourced from PubChem (CID 174786897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).