2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one

C20H24N2O4S2 — CID 3815213

About 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one

2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one (PubChem CID 3815213) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
• PubChem CID: 3815213
• Molecular Formula: C20H24N2O4S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.12
• IUPAC Name: 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
• SMILES: CN(C)Cc1ccc(CSCCN2C(=O)CSC2c2cccc3c2OCO3)o1
• InChI: InChI=1S/C20H24N2O4S2/c1-21(2)10-14-6-7-15(26-14)11-27-9-8-22-18(23)12-28-20(22)16-4-3-5-17-19(16)25-13-24-17/h3-7,20H,8-13H2,1-2H3
• InChIKey: YZJPOFIWHGRWGB-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 55.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one?

The IUPAC name of 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one (CID 3815213) is 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one?

The canonical SMILES for 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one is CN(C)Cc1ccc(CSCCN2C(=O)CSC2c2cccc3c2OCO3)o1.

What is the InChIKey of 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one?

The InChIKey is YZJPOFIWHGRWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-21(2)10-14-6-7-15(26-14)11-27-9-8-22-18(23)12-28-20(22)16-4-3-5-17-19(16)25-13-24-17/h3-7,20H,8-13H2,1-2H3.

What are the key properties of 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one?

2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3815213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).