4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one

C14H19NOS — CID 69117828

IUPAC4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC(C)N1C(=O)SC(C)C1(C)c1ccccc1
InChIInChI=1S/C14H19NOS/c1-10(2)15-13(16)17-11(3)14(15,4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyZDFHILZTPDGUTH-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.87
Rot. Bonds2

About 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one

4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one (PubChem CID 69117828) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
PubChem CID69117828
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
SMILESCC(C)N1C(=O)SC(C)C1(C)c1ccccc1
InChIInChI=1S/C14H19NOS/c1-10(2)15-13(16)17-11(3)14(15,4)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyZDFHILZTPDGUTH-UHFFFAOYSA-N
XLogP3.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
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 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one?
The IUPAC name of 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one (CID 69117828) is 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one.
What is the SMILES notation for 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one?
The canonical SMILES for 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one is CC(C)N1C(=O)SC(C)C1(C)c1ccccc1.
What is the InChIKey of 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one?
The InChIKey is ZDFHILZTPDGUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-10(2)15-13(16)17-11(3)14(15,4)12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one?
4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one has a molecular weight of 249.38 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one is sourced from PubChem (CID 69117828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).