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

C13H15NO3S — CID 53211524

IUPAC(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(CC(=O)N2CSC[C@H]2C(=O)O)c1
InChIInChI=1S/C13H15NO3S/c1-9-3-2-4-10(5-9)6-12(15)14-8-18-7-11(14)13(16)17/h2-5,11H,6-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyCBNFHQAAJRNWJS-NSHDSACASA-N
MW265.33 g/mol
LogP1.52
Rot. Bonds3

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

(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53211524) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is (4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID53211524
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(CC(=O)N2CSC[C@H]2C(=O)O)c1
InChIInChI=1S/C13H15NO3S/c1-9-3-2-4-10(5-9)6-12(15)14-8-18-7-11(14)13(16)17/h2-5,11H,6-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyCBNFHQAAJRNWJS-NSHDSACASA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 55083785
(4R)-3-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61205375
(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62315406
(2R,4R)-4-hydroxy-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 79000861
(2S)-4-hydroxy-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 62390121
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114427184
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426
(4R)-N-cyclopropyl-N-methyl-3-[2-(3-nitrophenyl)acetyl]-1,3-thiazolidine-4-carboxamide
CID 124607381
3-[3-(methylsulfanylmethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359431
3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 75384637
3-[3-(4-methylphenyl)sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172225

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 53211524) is (4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid is Cc1cccc(CC(=O)N2CSC[C@H]2C(=O)O)c1.
What is the InChIKey of (4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CBNFHQAAJRNWJS-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO3S/c1-9-3-2-4-10(5-9)6-12(15)14-8-18-7-11(14)13(16)17/h2-5,11H,6-8H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53211524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).