(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one

C10H9NO3S — CID 749249

IUPAC(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc3c(c2)OCO3)N1
InChIInChI=1S/C10H9NO3S/c12-9-4-15-10(11-9)6-1-2-7-8(3-6)14-5-13-7/h1-3,10H,4-5H2,(H,11,12)/t10-/m1/s1
InChIKeyDKSRUPUYYGWFOH-SNVBAGLBSA-N
MW223.25 g/mol
LogP1.28
Rot. Bonds1

About (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one

(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one (PubChem CID 749249) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
PubChem CID749249
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one
SMILESO=C1CS[C@H](c2ccc3c(c2)OCO3)N1
InChIInChI=1S/C10H9NO3S/c12-9-4-15-10(11-9)6-1-2-7-8(3-6)14-5-13-7/h1-3,10H,4-5H2,(H,11,12)/t10-/m1/s1
InChIKeyDKSRUPUYYGWFOH-SNVBAGLBSA-N
XLogP1.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride
CID 14155913
(5R)-5-(1,3-benzodioxol-5-yl)-1,5-dihydrothieno[3,2-e][1,4]thiazepin-2-one
CID 95389686
4-amino-5-(1,3-benzodioxol-5-yl)-1,5-dihydroimidazol-2-one
CID 79962095
(1R,3aR,4S,6aS)-1,4-bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 92542340
(4R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 12915760
(2S,4R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 686239
2-(1,3-benzodioxol-5-yl)cyclopentane-1,3-dione
CID 121015997
(4R)-4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 1400305
(4S)-4-(1,3-benzodioxol-5-yl)-1-cyclohexyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 1400304
7-(1,3-benzodioxol-5-yl)-3-tert-butyl-1-phenyl-7,8-dihydropyrazolo[5,4-d][1,3]thiazepin-4-one
CID 155814425
(4R)-4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
CID 6554608
(1R,2R,4R,5S)-2,4-bis(1,3-benzodioxol-5-yl)-3-azabicyclo[3.3.1]nonan-9-one
CID 7077442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one (CID 749249) is (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one is O=C1CS[C@H](c2ccc3c(c2)OCO3)N1.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one?
The InChIKey is DKSRUPUYYGWFOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-9-4-15-10(11-9)6-1-2-7-8(3-6)14-5-13-7/h1-3,10H,4-5H2,(H,11,12)/t10-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one?
(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one has a molecular weight of 223.25 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 749249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).