(2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid

C11H13NO2S — CID 782658

IUPAC(2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C11H13NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyHTRWLFRKMUVNPG-VHSXEESVSA-N
MW223.30 g/mol
LogP1.78
Rot. Bonds2

About (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 782658) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID782658
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name(2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1
InChIInChI=1S/C11H13NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyHTRWLFRKMUVNPG-VHSXEESVSA-N
XLogP1.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenylthiazolidine-4-carboxylic acid
CID 39237
2-(4-Methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 569775
5,5-Dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 41947
2-(2-Phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 666161
2-(4-Ethylphenyl)Thiazolidine-4-Carboxylic Acid
CID 3141768
2-(3-Bromophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2787214
2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827731
8-Benzyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 2763859
(S)2-Benzylamino-3-mercapto-propionic acid
CID 11052950
2-Benzylamino-3-mercapto-propionic acid
CID 15366953
(4R)-3-(2-aminoacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 54587081
(4R)-2-(naphthalen-1-yl)-1,3-thiazolidine-4-carboxylic acid
CID 11196223

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 782658) is (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid is Cc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1.
What is the InChIKey of (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HTRWLFRKMUVNPG-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 223.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 782658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).