methyl 1,3-thiazolidine-2-carboxylate;hydrochloride

C5H10ClNO2S — CID 2737506

IUPACmethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1NCCS1.Cl
InChIInChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-6-2-3-9-4;/h4,6H,2-3H2,1H3;1H
InChIKeyYGTQIXUXZVNVKG-UHFFFAOYSA-N
MW183.66 g/mol
LogP0.24
Rot. Bonds1

About methyl 1,3-thiazolidine-2-carboxylate;hydrochloride

methyl 1,3-thiazolidine-2-carboxylate;hydrochloride (PubChem CID 2737506) has the molecular formula C5H10ClNO2S and a molecular weight of 183.66 g/mol. Its IUPAC name is methyl 1,3-thiazolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
PubChem CID2737506
Molecular FormulaC5H10ClNO2S
Molecular Weight183.66 g/mol
Exact Mass183.01
IUPAC Namemethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1NCCS1.Cl
InChIInChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-6-2-3-9-4;/h4,6H,2-3H2,1H3;1H
InChIKeyYGTQIXUXZVNVKG-UHFFFAOYSA-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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Related Compounds

(2S)-1,3-thiazolidin-3-ium-2-carboxylate
CID 6998901
4-Thiazolidinecarboxylic acid, methyl ester
CID 93329
1,3-Thiazolidine-2-carboxylic acid--hydrogen chloride (1/1)
CID 3053087
Methyl thiazolidine-4-carboxylate hydrochloride
CID 170893
methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 45082403
ethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 54231762
Methyl 2-methyl-1,3-thiazolidine-4-carboxylate
CID 14377868
Methyl (R)-thiazolidine-4-carboxylate
CID 845041
Ethyl (4S)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 155822652
4-Thiazolidinecarboxylic acid, methyl ester, (S)-
CID 845039
Methyl 1,3-thiazolidine-2-carboxylate
CID 2737507
Methyl (R)-thiazolidine-4-carboxylate hydrochloride
CID 6455225

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-thiazolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 1,3-thiazolidine-2-carboxylate;hydrochloride (CID 2737506) is methyl 1,3-thiazolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1,3-thiazolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 1,3-thiazolidine-2-carboxylate;hydrochloride is COC(=O)C1NCCS1.Cl.
What is the InChIKey of methyl 1,3-thiazolidine-2-carboxylate;hydrochloride?
The InChIKey is YGTQIXUXZVNVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-6-2-3-9-4;/h4,6H,2-3H2,1H3;1H.
What are the key properties of methyl 1,3-thiazolidine-2-carboxylate;hydrochloride?
methyl 1,3-thiazolidine-2-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 1,3-thiazolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 2737506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).