2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

C6H12ClNO2S — CID 67763027

IUPAC2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCCC1NC(C(=O)O)CS1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-2-5-7-4(3-10-5)6(8)9;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyKPDOVNIVTWYXNS-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.93
Rot. Bonds2

About 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (PubChem CID 67763027) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
PubChem CID67763027
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCCC1NC(C(=O)O)CS1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-2-5-7-4(3-10-5)6(8)9;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyKPDOVNIVTWYXNS-UHFFFAOYSA-N
XLogP0.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
(2S,4R)-2-(2,2-dimethylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 93078392
(2R,4R)-2-heptyl-1,3-thiazolidine-4-carboxylic acid
CID 97292543
2-[2-(diethylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500835
(4S)-2-(2-amino-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774074
2-[2-(methylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500452
(4S)-2-(2-methylsulfanylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 107774011
2-prop-2-enyl-1,3-thiazolidine-4-carboxylic acid
CID 68534955
(4R)-2-[(octadecylamino)methyl]-1,3-thiazolidine-4-carboxylic acid
CID 146279061
2-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazolidine-4-carboxylic acid
CID 80500725
(4S)-2-pentan-3-yl-1,3-thiazolidine-4-carboxylic acid
CID 107773760
(4R)-2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 57064523

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (CID 67763027) is 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is CCC1NC(C(=O)O)CS1.Cl.
What is the InChIKey of 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The InChIKey is KPDOVNIVTWYXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S.ClH/c1-2-5-7-4(3-10-5)6(8)9;/h4-5,7H,2-3H2,1H3,(H,8,9);1H.
What are the key properties of 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride has a molecular weight of 197.69 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67763027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).