5-tert-butyl-1,3-thiazolidin-2-one

C7H13NOS — CID 59464664

IUPAC5-tert-butyl-1,3-thiazolidin-2-one
SMILESCC(C)(C)C1CNC(=O)S1
InChIInChI=1S/C7H13NOS/c1-7(2,3)5-4-8-6(9)10-5/h5H,4H2,1-3H3,(H,8,9)
InChIKeyJMTBLEQRBJLXTI-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.86
Rot. Bonds

About 5-tert-butyl-1,3-thiazolidin-2-one

5-tert-butyl-1,3-thiazolidin-2-one (PubChem CID 59464664) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 5-tert-butyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1,3-thiazolidin-2-one
PubChem CID59464664
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name5-tert-butyl-1,3-thiazolidin-2-one
SMILESCC(C)(C)C1CNC(=O)S1
InChIInChI=1S/C7H13NOS/c1-7(2,3)5-4-8-6(9)10-5/h5H,4H2,1-3H3,(H,8,9)
InChIKeyJMTBLEQRBJLXTI-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tert-butyl-1,3-thiazolidin-2-one?
The IUPAC name of 5-tert-butyl-1,3-thiazolidin-2-one (CID 59464664) is 5-tert-butyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-tert-butyl-1,3-thiazolidin-2-one?
The canonical SMILES for 5-tert-butyl-1,3-thiazolidin-2-one is CC(C)(C)C1CNC(=O)S1.
What is the InChIKey of 5-tert-butyl-1,3-thiazolidin-2-one?
The InChIKey is JMTBLEQRBJLXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-7(2,3)5-4-8-6(9)10-5/h5H,4H2,1-3H3,(H,8,9).
What are the key properties of 5-tert-butyl-1,3-thiazolidin-2-one?
5-tert-butyl-1,3-thiazolidin-2-one has a molecular weight of 159.25 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 59464664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).