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

C6H12ClNO2S — CID 55278769

IUPACethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1NCCS1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-7-3-4-10-5;/h5,7H,2-4H2,1H3;1H
InChIKeyOYLMMQOHFPWGDX-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.63
Rot. Bonds2

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

ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride (PubChem CID 55278769) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
PubChem CID55278769
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Nameethyl 1,3-thiazolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1NCCS1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-7-3-4-10-5;/h5,7H,2-4H2,1H3;1H
InChIKeyOYLMMQOHFPWGDX-UHFFFAOYSA-N
XLogP0.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

carbonic acid;2-(1-ethoxyethenyl)-1,3-thiazolidine
CID 71405468
ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
CID 70296848
ethyl 2-[(2S)-1,3-thiazolidin-2-yl]acetate
CID 70429766
(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one
CID 10125142
bis(1,3-thiazolidin-2-yl)methanone;iron
CID 175441879
ethyl thiirane-2-carboxylate
CID 12518686
2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 57312911
ethyl piperazine-2-carboxylate
CID 10633257
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl (2S,3S)-2-methylpyrrolidine-3-carboxylate
CID 155921196
diethyl (2S,3S)-pyrrolidine-2,3-dicarboxylate
CID 99768949
ethyl (2S,3S)-3-methylpyrrolidine-2-carboxylate
CID 45115923

Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride (CID 55278769) is ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride is CCOC(=O)C1NCCS1.Cl.
What is the InChIKey of ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride?
The InChIKey is OYLMMQOHFPWGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S.ClH/c1-2-9-6(8)5-7-3-4-10-5;/h5,7H,2-4H2,1H3;1H.
What are the key properties of ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride?
ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride has a molecular weight of 197.69 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-thiazolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 55278769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).