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

C10H11NOS — CID 2835856

IUPAC5-methyl-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccccc2)NC1=O
InChIInChI=1S/C10H11NOS/c1-7-9(12)11-10(13-7)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)
InChIKeyLHWYMGUUEPNKPD-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.94
Rot. Bonds1

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

5-methyl-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 2835856) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-1,3-thiazolidin-4-one
PubChem CID2835856
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name5-methyl-2-phenyl-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccccc2)NC1=O
InChIInChI=1S/C10H11NOS/c1-7-9(12)11-10(13-7)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)
InChIKeyLHWYMGUUEPNKPD-UHFFFAOYSA-N
XLogP1.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-2-phenyl-1,3-thiazolidin-4-one (CID 2835856) is 5-methyl-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-2-phenyl-1,3-thiazolidin-4-one is CC1SC(c2ccccc2)NC1=O.
What is the InChIKey of 5-methyl-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is LHWYMGUUEPNKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-7-9(12)11-10(13-7)8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12).
What are the key properties of 5-methyl-2-phenyl-1,3-thiazolidin-4-one?
5-methyl-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 193.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 2835856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).