2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

C18H24N2O3S — CID 24712106

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc3c(c2)OCCO3)N(CCN2CCCC2)C1=O
InChIInChI=1S/C18H24N2O3S/c1-13-17(21)20(9-8-19-6-2-3-7-19)18(24-13)14-4-5-15-16(12-14)23-11-10-22-15/h4-5,12-13,18H,2-3,6-11H2,1H3
InChIKeyOGCAZODWQPBYAS-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.52
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 24712106) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID24712106
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc3c(c2)OCCO3)N(CCN2CCCC2)C1=O
InChIInChI=1S/C18H24N2O3S/c1-13-17(21)20(9-8-19-6-2-3-7-19)18(24-13)14-4-5-15-16(12-14)23-11-10-22-15/h4-5,12-13,18H,2-3,6-11H2,1H3
InChIKeyOGCAZODWQPBYAS-UHFFFAOYSA-N
XLogP2.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 42814715
4-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42814747
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3841228
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-propan-2-yloxyphenyl)-1-(2-pyrrolidin-1-ylethyl)pyrrolidine-2,3-dione
CID 110277408
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diethylcyclobutan-1-one
CID 81415943
2-(4-fluorophenyl)-5-methyl-3-[2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 42814550
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
CID 6076862
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one
CID 3804922
2-[4-(dimethylamino)phenyl]-3-(2-methoxyethyl)-5-methyl-1,3-thiazolidin-4-one
CID 42814135
(5S)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[4-(dimethylamino)phenyl]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
CID 28821586
2-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(2-pyrrolidin-1-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 91973117
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-pyrrolidin-1-ylethyl)-5-thiophen-2-ylpyrrolidine-2,3-dione
CID 110277419

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one (CID 24712106) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is CC1SC(c2ccc3c(c2)OCCO3)N(CCN2CCCC2)C1=O.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is OGCAZODWQPBYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-13-17(21)20(9-8-19-6-2-3-7-19)18(24-13)14-4-5-15-16(12-14)23-11-10-22-15/h4-5,12-13,18H,2-3,6-11H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 348.47 g/mol, XLogP of 2.52, 4 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)-5-methyl-3-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24712106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).