2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride

C10H12ClNO2S — CID 14155913

IUPAC2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride
SMILESCl.c1cc2c(cc1C1NCCS1)OCO2
InChIInChI=1S/C10H11NO2S.ClH/c1-2-8-9(13-6-12-8)5-7(1)10-11-3-4-14-10;/h1-2,5,10-11H,3-4,6H2;1H
InChIKeyUKJFXCRMRVMLDA-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.17
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride

2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride (PubChem CID 14155913) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride
PubChem CID14155913
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride
SMILESCl.c1cc2c(cc1C1NCCS1)OCO2
InChIInChI=1S/C10H11NO2S.ClH/c1-2-8-9(13-6-12-8)5-7(1)10-11-3-4-14-10;/h1-2,5,10-11H,3-4,6H2;1H
InChIKeyUKJFXCRMRVMLDA-UHFFFAOYSA-N
XLogP2.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride (CID 14155913) is 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride is Cl.c1cc2c(cc1C1NCCS1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride?
The InChIKey is UKJFXCRMRVMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S.ClH/c1-2-8-9(13-6-12-8)5-7(1)10-11-3-4-14-10;/h1-2,5,10-11H,3-4,6H2;1H.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride?
2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride has a molecular weight of 245.73 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride is sourced from PubChem (CID 14155913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).