5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C18H15NO2S — CID 46231435

IUPAC5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(/C=C/c3ccccc3)cc2)S1
InChIInChI=1S/C18H15NO2S/c20-17-16(22-18(21)19-17)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11,16H,12H2,(H,19,20,21)/b7-6+
InChIKeyFWCJOCDDVZEMJH-VOTSOKGWSA-N
MW309.39 g/mol
LogP3.75
Rot. Bonds4

About 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 46231435) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID46231435
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(/C=C/c3ccccc3)cc2)S1
InChIInChI=1S/C18H15NO2S/c20-17-16(22-18(21)19-17)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11,16H,12H2,(H,19,20,21)/b7-6+
InChIKeyFWCJOCDDVZEMJH-VOTSOKGWSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5R)-2-sulfanyl-5-(4-(trifluoromethyl)benzyl)-1,3-thiazol-4(5H)-one
CID 23586154
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
8-(4-Methylphenyl)-3,4a,7a,8-tetrahydropyrrolo[2,3]thiopyrano[4,5-b]thiazole-2,5,7-trione
CID 2999796
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-Benzoylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 46231483

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 46231435) is 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(/C=C/c3ccccc3)cc2)S1.
What is the InChIKey of 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FWCJOCDDVZEMJH-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-17-16(22-18(21)19-17)12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-11,16H,12H2,(H,19,20,21)/b7-6+.
What are the key properties of 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 309.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(E)-2-phenylethenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46231435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).