methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride

C5H10ClNO2S — CID 6455225

IUPACmethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CSCN1.Cl
InChIInChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-2-9-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m0./s1
InChIKeyYEFOSJYXVLNYSL-WCCKRBBISA-N
MW183.66 g/mol
LogP0.24
Rot. Bonds1

About methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride

methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride (PubChem CID 6455225) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride
PubChem CID6455225
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Namemethyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CSCN1.Cl
InChIInChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-2-9-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m0./s1
InChIKeyYEFOSJYXVLNYSL-WCCKRBBISA-N
XLogP0.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.66
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride (CID 6455225) is methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride is COC(=O)[C@@H]1CSCN1.Cl.
What is the InChIKey of methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride?
The InChIKey is YEFOSJYXVLNYSL-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-2-9-3-6-4;/h4,6H,2-3H2,1H3;1H/t4-;/m0./s1.
What are the key properties of methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride?
methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride has a molecular weight of 183.66 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-1,3-thiazolidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 6455225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).