2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone

C22H24N2O3S — CID 4966115

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone
SMILESCC1CN(C(=O)Cc2ccc3c(c2)OCCO3)/C(=N/CCc2ccccc2)S1
InChIInChI=1S/C22H24N2O3S/c1-16-15-24(22(28-16)23-10-9-17-5-3-2-4-6-17)21(25)14-18-7-8-19-20(13-18)27-12-11-26-19/h2-8,13,16H,9-12,14-15H2,1H3/b23-22-
InChIKeyFRMZGQPKTZSYEQ-FCQUAONHSA-N
MW396.51 g/mol
LogP3.56
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 4966115) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone
PubChem CID4966115
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone
SMILESCC1CN(C(=O)Cc2ccc3c(c2)OCCO3)/C(=N/CCc2ccccc2)S1
InChIInChI=1S/C22H24N2O3S/c1-16-15-24(22(28-16)23-10-9-17-5-3-2-4-6-17)21(25)14-18-7-8-19-20(13-18)27-12-11-26-19/h2-8,13,16H,9-12,14-15H2,1H3/b23-22-
InChIKeyFRMZGQPKTZSYEQ-FCQUAONHSA-N
XLogP3.56
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone 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 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone (CID 4966115) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone is CC1CN(C(=O)Cc2ccc3c(c2)OCCO3)/C(=N/CCc2ccccc2)S1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is FRMZGQPKTZSYEQ-FCQUAONHSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-16-15-24(22(28-16)23-10-9-17-5-3-2-4-6-17)21(25)14-18-7-8-19-20(13-18)27-12-11-26-19/h2-8,13,16H,9-12,14-15H2,1H3/b23-22-.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 396.51 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-methyl-2-(2-phenylethylimino)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 4966115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).