1-oxo-2-phenyl-1,3-thiazolidin-4-one

C9H9NO2S — CID 87836688

IUPAC1-oxo-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)C(c2ccccc2)N1
InChIInChI=1S/C9H9NO2S/c11-8-6-13(12)9(10-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyCMKZKCOXQUNFPX-UHFFFAOYSA-N
MW195.24 g/mol
LogP0.56
Rot. Bonds1

About 1-oxo-2-phenyl-1,3-thiazolidin-4-one

1-oxo-2-phenyl-1,3-thiazolidin-4-one (PubChem CID 87836688) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-oxo-2-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name1-oxo-2-phenyl-1,3-thiazolidin-4-one
PubChem CID87836688
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name1-oxo-2-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CS(=O)C(c2ccccc2)N1
InChIInChI=1S/C9H9NO2S/c11-8-6-13(12)9(10-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKeyCMKZKCOXQUNFPX-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 1-oxo-2-phenyl-1,3-thiazolidin-4-one (CID 87836688) is 1-oxo-2-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 1-oxo-2-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 1-oxo-2-phenyl-1,3-thiazolidin-4-one is O=C1CS(=O)C(c2ccccc2)N1.
What is the InChIKey of 1-oxo-2-phenyl-1,3-thiazolidin-4-one?
The InChIKey is CMKZKCOXQUNFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c11-8-6-13(12)9(10-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11).
What are the key properties of 1-oxo-2-phenyl-1,3-thiazolidin-4-one?
1-oxo-2-phenyl-1,3-thiazolidin-4-one has a molecular weight of 195.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 87836688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).