(5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one

C13H17NO2S — CID 102276882

IUPAC(5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one
SMILESCC(C)(C)N1C(=O)C[C@@H](c2ccccc2)S1=O
InChIInChI=1S/C13H17NO2S/c1-13(2,3)14-12(15)9-11(17(14)16)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-,17?/m0/s1
InChIKeyDDBKJCAZNGLPCL-PIJUOJQZSA-N
MW251.35 g/mol
LogP2.42
Rot. Bonds1

About (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one

(5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one (PubChem CID 102276882) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name(5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one
PubChem CID102276882
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one
SMILESCC(C)(C)N1C(=O)C[C@@H](c2ccccc2)S1=O
InChIInChI=1S/C13H17NO2S/c1-13(2,3)14-12(15)9-11(17(14)16)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-,17?/m0/s1
InChIKeyDDBKJCAZNGLPCL-PIJUOJQZSA-N
XLogP2.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one?
The IUPAC name of (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one (CID 102276882) is (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one.
What is the SMILES notation for (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one?
The canonical SMILES for (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one is CC(C)(C)N1C(=O)C[C@@H](c2ccccc2)S1=O.
What is the InChIKey of (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one?
The InChIKey is DDBKJCAZNGLPCL-PIJUOJQZSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-13(2,3)14-12(15)9-11(17(14)16)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-,17?/m0/s1.
What are the key properties of (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one?
(5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one has a molecular weight of 251.35 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-tert-butyl-1-oxo-5-phenyl-1,2-thiazolidin-3-one is sourced from PubChem (CID 102276882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).