5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

C7H7NO2S — CID 154205341

IUPAC5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
SMILESC#CCN1C(=O)SC(C)C1=O
InChIInChI=1S/C7H7NO2S/c1-3-4-8-6(9)5(2)11-7(8)10/h1,5H,4H2,2H3
InChIKeyGVGRWLGUZTZMJR-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.70
Rot. Bonds1

About 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione (PubChem CID 154205341) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
PubChem CID154205341
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
SMILESC#CCN1C(=O)SC(C)C1=O
InChIInChI=1S/C7H7NO2S/c1-3-4-8-6(9)5(2)11-7(8)10/h1,5H,4H2,2H3
InChIKeyGVGRWLGUZTZMJR-UHFFFAOYSA-N
XLogP0.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione (CID 154205341) is 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is C#CCN1C(=O)SC(C)C1=O.
What is the InChIKey of 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione?
The InChIKey is GVGRWLGUZTZMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c1-3-4-8-6(9)5(2)11-7(8)10/h1,5H,4H2,2H3.
What are the key properties of 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione?
5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione has a molecular weight of 169.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 154205341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).