(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

C6H12ClNO2S — CID 21149485

IUPAC(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC1(C)SCN[C@H]1C(=O)O.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-6(2)4(5(8)9)7-3-10-6;/h4,7H,3H2,1-2H3,(H,8,9);1H/t4-;/m0./s1
InChIKeyRQOABAGMTRYNAF-WCCKRBBISA-N
MW197.69 g/mol
LogP0.93
Rot. Bonds1

About (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (PubChem CID 21149485) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
PubChem CID21149485
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC1(C)SCN[C@H]1C(=O)O.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-6(2)4(5(8)9)7-3-10-6;/h4,7H,3H2,1-2H3,(H,8,9);1H/t4-;/m0./s1
InChIKeyRQOABAGMTRYNAF-WCCKRBBISA-N
XLogP0.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The IUPAC name of (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (CID 21149485) is (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is CC1(C)SCN[C@H]1C(=O)O.Cl.
What is the InChIKey of (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The InChIKey is RQOABAGMTRYNAF-WCCKRBBISA-N. The full InChI is InChI=1S/C6H11NO2S.ClH/c1-6(2)4(5(8)9)7-3-10-6;/h4,7H,3H2,1-2H3,(H,8,9);1H/t4-;/m0./s1.
What are the key properties of (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride has a molecular weight of 197.69 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 21149485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).