5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine

C11H11NO2S — CID 66703897

IUPAC5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine
SMILESC(=C1CNCS1)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H11NO2S/c1-2-10-11(14-7-13-10)4-8(1)3-9-5-12-6-15-9/h1-4,12H,5-7H2
InChIKeyWCLJTAXLTPQMRC-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.05
Rot. Bonds1

About 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine

5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine (PubChem CID 66703897) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine
PubChem CID66703897
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine
SMILESC(=C1CNCS1)c1ccc2c(c1)OCO2
InChIInChI=1S/C11H11NO2S/c1-2-10-11(14-7-13-10)4-8(1)3-9-5-12-6-15-9/h1-4,12H,5-7H2
InChIKeyWCLJTAXLTPQMRC-UHFFFAOYSA-N
XLogP2.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propa-1,2-dienyl-1,3-benzodioxole
CID 15640577
(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-5-methylthiophen-2-one
CID 6300693
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-1,3-thiazolidine-2-carbothialdehyde
CID 174608118
(3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-1-ium-4-one
CID 7276934
(3Z,5Z)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-4-one
CID 17368284
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
1-(1,3-benzodioxol-5-yl)-N-methylmethanimine oxide
CID 12062652
formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 6442051
5-(1,3-benzodioxol-5-ylmethylidene)-1-methyl-1,3-diazinane-2,4,6-trione
CID 703523
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 745585
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 87468954

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine?
The IUPAC name of 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine (CID 66703897) is 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine?
The canonical SMILES for 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine is C(=C1CNCS1)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine?
The InChIKey is WCLJTAXLTPQMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-2-10-11(14-7-13-10)4-8(1)3-9-5-12-6-15-9/h1-4,12H,5-7H2.
What are the key properties of 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine?
5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine has a molecular weight of 221.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-ylmethylidene)-1,3-thiazolidine is sourced from PubChem (CID 66703897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).