3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one

C20H19NO5S — CID 3804922

IUPAC3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc3c(c2)OCCO3)N1CCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H19NO5S/c22-19-11-27-20(14-2-4-15-18(10-14)24-8-7-23-15)21(19)6-5-13-1-3-16-17(9-13)26-12-25-16/h1-4,9-10,20H,5-8,11-12H2
InChIKeyYBOWKHAIBFABSM-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.00
Rot. Bonds4

About 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one

3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one (PubChem CID 3804922) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one
PubChem CID3804922
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc3c(c2)OCCO3)N1CCc1ccc2c(c1)OCO2
InChIInChI=1S/C20H19NO5S/c22-19-11-27-20(14-2-4-15-18(10-14)24-8-7-23-15)21(19)6-5-13-1-3-16-17(9-13)26-12-25-16/h1-4,9-10,20H,5-8,11-12H2
InChIKeyYBOWKHAIBFABSM-UHFFFAOYSA-N
XLogP3.00
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3841228
2-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 3692735
2-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl-diethyl-methylazanium iodide
CID 134108977
N-(1,3-benzodioxol-5-ylmethyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 21371667
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[2-chloro-4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
CID 23826766
3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 3840747
ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3801896
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1-phenylethyl)-1,3-thiazolidin-4-one
CID 74228565
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
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
3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
CID 3862621
3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one
CID 3718539

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one (CID 3804922) is 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc3c(c2)OCCO3)N1CCc1ccc2c(c1)OCO2.
What is the InChIKey of 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one?
The InChIKey is YBOWKHAIBFABSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c22-19-11-27-20(14-2-4-15-18(10-14)24-8-7-23-15)21(19)6-5-13-1-3-16-17(9-13)26-12-25-16/h1-4,9-10,20H,5-8,11-12H2.
What are the key properties of 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one?
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one has a molecular weight of 385.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3804922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).