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

C11H13NO3S — CID 53270178

IUPAC2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(C2NC(C(=O)O)CS2)c1O
InChIInChI=1S/C11H13NO3S/c1-6-3-2-4-7(9(6)13)10-12-8(5-16-10)11(14)15/h2-4,8,10,12-13H,5H2,1H3,(H,14,15)
InChIKeyFSTKATSQERJULM-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.49
Rot. Bonds2

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

2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53270178) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53270178
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(C2NC(C(=O)O)CS2)c1O
InChIInChI=1S/C11H13NO3S/c1-6-3-2-4-7(9(6)13)10-12-8(5-16-10)11(14)15/h2-4,8,10,12-13H,5H2,1H3,(H,14,15)
InChIKeyFSTKATSQERJULM-UHFFFAOYSA-N
XLogP1.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230
2-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724
(2S,4S)-2-(3-ethoxy-2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 866464
(2S,4S)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40574393
2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
CID 3141767
(2R,4S)-2-(2-carboxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 739068
(4R)-2-(3-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 6708491
(4S)-2-(2-propan-2-yloxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 43831490
(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 22827572
(4R)-2-(2,6-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 61146788
(4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 107773712

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid (CID 53270178) is 2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid is Cc1cccc(C2NC(C(=O)O)CS2)c1O.
What is the InChIKey of 2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FSTKATSQERJULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-6-3-2-4-7(9(6)13)10-12-8(5-16-10)11(14)15/h2-4,8,10,12-13H,5H2,1H3,(H,14,15).
What are the key properties of 2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53270178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).