2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

C8H16ClNO2S — CID 3015648

IUPAC2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC1(C)NC(C(=O)O)C(C)(C)S1.Cl
InChIInChI=1S/C8H15NO2S.ClH/c1-7(2)5(6(10)11)9-8(3,4)12-7;/h5,9H,1-4H3,(H,10,11);1H
InChIKeyYNSAPAAAKBYKQC-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.71
Rot. Bonds1

About 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (PubChem CID 3015648) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
PubChem CID3015648
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC Name2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC1(C)NC(C(=O)O)C(C)(C)S1.Cl
InChIInChI=1S/C8H15NO2S.ClH/c1-7(2)5(6(10)11)9-8(3,4)12-7;/h5,9H,1-4H3,(H,10,11);1H
InChIKeyYNSAPAAAKBYKQC-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethylthiazolidine-4-carboxylic acid, (R)-
CID 5715192
2-(2-Ethoxy-2-oxoethyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 272755
5,5-Dimethyl-4-thiazolidinecarboxylic acid
CID 85822
4-Thiazolidinecarboxylic acid, 2-ethyl-
CID 98344
Thiazolidinecarboxylic acid, 2-ethyl-
CID 198462
4-Thiazolidinecarboxylic acid, 2-(2-(dimethylamino)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069931
4-Thiazolidinecarboxylic acid, 2-(2-(diethylamino)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069937
2,2,5,5-Tetramethylthiazolidine-4-carboxylic acid
CID 93964
2-Isopropyl-5,5-dimethylthiazolidine-4-carboxylic acid
CID 98398
(4S)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 2725071
2-Tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 3734985
(R)-2,2-Dimethylthiazolidine-4-carboxylic acid hydrochloride
CID 21352161

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (CID 3015648) is 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is CC1(C)NC(C(=O)O)C(C)(C)S1.Cl.
What is the InChIKey of 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The InChIKey is YNSAPAAAKBYKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S.ClH/c1-7(2)5(6(10)11)9-8(3,4)12-7;/h5,9H,1-4H3,(H,10,11);1H.
What are the key properties of 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride has a molecular weight of 225.74 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 3015648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).