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

C19H19NO2S — CID 14459926

IUPAC5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(CCCc3ccccc3)cc2)S1
InChIInChI=1S/C19H19NO2S/c21-18-17(23-19(22)20-18)13-16-11-9-15(10-12-16)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2,(H,20,21,22)
InChIKeyPBHMRPSBBVSADN-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.76
Rot. Bonds6

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

5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 14459926) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID14459926
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(CCCc3ccccc3)cc2)S1
InChIInChI=1S/C19H19NO2S/c21-18-17(23-19(22)20-18)13-16-11-9-15(10-12-16)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2,(H,20,21,22)
InChIKeyPBHMRPSBBVSADN-UHFFFAOYSA-N
XLogP3.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[4-(3-phenylpropyl)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-Benzyl-1,3-thiazolidine-2,4-dione
CID 3157013
5-Ethyl-5-phenyl-1,3-thiazolidine-2,4-dione
CID 271661
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
5-(2-Naphthalenylmethyl)-2,4-thiazolidinedione
CID 44280082
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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 14459926) is 5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(CCCc3ccccc3)cc2)S1.
What is the InChIKey of 5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is PBHMRPSBBVSADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c21-18-17(23-19(22)20-18)13-16-11-9-15(10-12-16)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2,(H,20,21,22).
What are the key properties of 5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 325.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-phenylpropyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 14459926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).