3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one

C17H17NOS — CID 2839914

IUPAC3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H17NOS/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3
InChIKeyXCLUQWGMVIXYIU-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.85
Rot. Bonds3

About 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one

3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 2839914) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one
PubChem CID2839914
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccccc2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H17NOS/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3
InChIKeyXCLUQWGMVIXYIU-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one (CID 2839914) is 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one is CC1SC(c2ccccc2)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is XCLUQWGMVIXYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-16(19)18(12-14-8-4-2-5-9-14)17(20-13)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3.
What are the key properties of 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one?
3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 283.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2839914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).