5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one

C30H35NO2S — CID 19990577

IUPAC5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one
SMILESCCCCC1SC(c2cccc(Oc3ccccc3)c2)N(CCCCCc2ccccc2)C1=O
InChIInChI=1S/C30H35NO2S/c1-2-3-21-28-29(32)31(22-12-6-9-16-24-14-7-4-8-15-24)30(34-28)25-17-13-20-27(23-25)33-26-18-10-5-11-19-26/h4-5,7-8,10-11,13-15,17-20,23,28,30H,2-3,6,9,12,16,21-22H2,1H3
InChIKeyVWZUXOQKAZXQSH-UHFFFAOYSA-N
MW473.68 g/mol
LogP8.02
Rot. Bonds12

About 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one

5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one (PubChem CID 19990577) has the molecular formula C30H35NO2S and a molecular weight of 473.68 g/mol. Its IUPAC name is 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one
PubChem CID19990577
Molecular FormulaC30H35NO2S
Molecular Weight473.68 g/mol
Exact Mass473.24
IUPAC Name5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one
SMILESCCCCC1SC(c2cccc(Oc3ccccc3)c2)N(CCCCCc2ccccc2)C1=O
InChIInChI=1S/C30H35NO2S/c1-2-3-21-28-29(32)31(22-12-6-9-16-24-14-7-4-8-15-24)30(34-28)25-17-13-20-27(23-25)33-26-18-10-5-11-19-26/h4-5,7-8,10-11,13-15,17-20,23,28,30H,2-3,6,9,12,16,21-22H2,1H3
InChIKeyVWZUXOQKAZXQSH-UHFFFAOYSA-N
XLogP8.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.68
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one (CID 19990577) is 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one is CCCCC1SC(c2cccc(Oc3ccccc3)c2)N(CCCCCc2ccccc2)C1=O.
What is the InChIKey of 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one?
The InChIKey is VWZUXOQKAZXQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO2S/c1-2-3-21-28-29(32)31(22-12-6-9-16-24-14-7-4-8-15-24)30(34-28)25-17-13-20-27(23-25)33-26-18-10-5-11-19-26/h4-5,7-8,10-11,13-15,17-20,23,28,30H,2-3,6,9,12,16,21-22H2,1H3.
What are the key properties of 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one?
5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one has a molecular weight of 473.68 g/mol, XLogP of 8.02, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(3-phenoxyphenyl)-3-(5-phenylpentyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 19990577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).