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

C20H24N2O4S2 — CID 3815213

IUPAC2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
SMILESCN(C)Cc1ccc(CSCCN2C(=O)CSC2c2cccc3c2OCO3)o1
InChIInChI=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
InChIKeyYZJPOFIWHGRWGB-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.58
Rot. Bonds8

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 Name2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
PubChem CID3815213
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC Name2-(1,3-benzodioxol-4-yl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,3-thiazolidin-4-one
SMILESCN(C)Cc1ccc(CSCCN2C(=O)CSC2c2cccc3c2OCO3)o1
InChIInChI=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
InChIKeyYZJPOFIWHGRWGB-UHFFFAOYSA-N
XLogP3.58
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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).