5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione

C16H13NO2S2 — CID 46231433

IUPAC5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(Sc3ccccc3)cc2)S1
InChIInChI=1S/C16H13NO2S2/c18-15-14(21-16(19)17-15)10-11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18,19)
InChIKeyLFPRFJYPCFYBLV-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.73
Rot. Bonds4

About 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione

5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 46231433) has the molecular formula C16H13NO2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID46231433
Molecular FormulaC16H13NO2S2
Molecular Weight315.42 g/mol
Exact Mass315.04
IUPAC Name5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(Sc3ccccc3)cc2)S1
InChIInChI=1S/C16H13NO2S2/c18-15-14(21-16(19)17-15)10-11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18,19)
InChIKeyLFPRFJYPCFYBLV-UHFFFAOYSA-N
XLogP3.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Benzyl-1,3-thiazolidine-2,4-dione
CID 3157013
3-phenyl-N-[2-(phenylthio)ethyl]propanamide
CID 2205200
3-(4-(methylthio)phenyl)-4-phenyl-1H-pyrrole-2,5-dione
CID 25116313
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
N-(1,1-dimethylpropyl)-2-phenyl-2-(phenylthio)acetamide
CID 2953339
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-Phenyl-1,3-thiazolidine-2,4-dione
CID 9834193
5-[4-(3-Phenylpropyl)benzyl]thiazolidine-2,4-dione
CID 14459926
5-(Naphthalen-2-ylsulfanylmethyl)-1,3-thiazolidine-2,4-dione
CID 44280655
5,5-Dibenzyl-1,3-thiazolidine-2,4-dione
CID 356393

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 46231433) is 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(Sc3ccccc3)cc2)S1.
What is the InChIKey of 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is LFPRFJYPCFYBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S2/c18-15-14(21-16(19)17-15)10-11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18,19).
What are the key properties of 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 315.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylsulfanylphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46231433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).