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

Analyze 1-oxo-2-phenyl-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione
CID 75307773
(5S,6R)-5,6-diphenylpiperazin-2-one
CID 53393309
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
1,1-dioxo-2-phenyl-1,3-thiazolidin-4-one
CID 23273913
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(5S,6R)-5-hydroxy-6-phenylpiperidin-2-one
CID 102384339
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
2-tert-butyl-1-oxo-1,3-thiazolidin-4-one
CID 20804964

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).