5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione

C8H13NO2S — CID 129017003

IUPAC5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione
SMILESCCC(C)(C)C1SC(=O)NC1=O
InChIInChI=1S/C8H13NO2S/c1-4-8(2,3)5-6(10)9-7(11)12-5/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyQWTHBCIQLMFRLC-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.77
Rot. Bonds2

About 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione

5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione (PubChem CID 129017003) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione
PubChem CID129017003
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione
SMILESCCC(C)(C)C1SC(=O)NC1=O
InChIInChI=1S/C8H13NO2S/c1-4-8(2,3)5-6(10)9-7(11)12-5/h5H,4H2,1-3H3,(H,9,10,11)
InChIKeyQWTHBCIQLMFRLC-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.77
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 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione (CID 129017003) is 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione is CCC(C)(C)C1SC(=O)NC1=O.
What is the InChIKey of 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione?
The InChIKey is QWTHBCIQLMFRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-4-8(2,3)5-6(10)9-7(11)12-5/h5H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione?
5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione has a molecular weight of 187.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 129017003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).