(5R)-5-phenyl-1,3-thiazolidine-2,4-dione

C9H7NO2S — CID 92849769

IUPAC(5R)-5-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](c2ccccc2)S1
InChIInChI=1S/C9H7NO2S/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1
InChIKeyCJOPVUUYQFODBM-SSDOTTSWSA-N
MW193.23 g/mol
LogP1.71
Rot. Bonds1

About (5R)-5-phenyl-1,3-thiazolidine-2,4-dione

(5R)-5-phenyl-1,3-thiazolidine-2,4-dione (PubChem CID 92849769) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is (5R)-5-phenyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-phenyl-1,3-thiazolidine-2,4-dione
PubChem CID92849769
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Name(5R)-5-phenyl-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H](c2ccccc2)S1
InChIInChI=1S/C9H7NO2S/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1
InChIKeyCJOPVUUYQFODBM-SSDOTTSWSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

Phenylthilone
CID 227260
5-[(3,5-Dimethylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 56658693
5-Ethyl-5-phenyl-1,3-thiazolidine-2,4-dione
CID 271661
5-Benzyl-1,3-thiazolidine-2,4-dione
CID 3157013
5-Benzyl-2-thioxothiazolidin-4-one
CID 15643297
5-[[4-(2-Phenylethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 46231436
5-[([1,1'-Biphenyl]-4-yl)methyl]-1,3-thiazolidine-2,4-dione
CID 46231484
2,4-Thiazolidinedione, 5-((3,4-dimethylphenyl)methyl)-
CID 3061688
5-[(4-Phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 46231433
5-[(4-Benzylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 46231434
5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 46231435
5-[(4-Benzoylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 46231483

Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5R)-5-phenyl-1,3-thiazolidine-2,4-dione (CID 92849769) is (5R)-5-phenyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-phenyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5R)-5-phenyl-1,3-thiazolidine-2,4-dione is O=C1NC(=O)[C@@H](c2ccccc2)S1.
What is the InChIKey of (5R)-5-phenyl-1,3-thiazolidine-2,4-dione?
The InChIKey is CJOPVUUYQFODBM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H7NO2S/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,11,12)/t7-/m1/s1.
What are the key properties of (5R)-5-phenyl-1,3-thiazolidine-2,4-dione?
(5R)-5-phenyl-1,3-thiazolidine-2,4-dione has a molecular weight of 193.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 92849769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).