(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid

C11H11NO5S — CID 107721616

IUPAC(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H11NO5S/c13-6-1-2-9(14)7(3-6)10(15)12-5-18-4-8(12)11(16)17/h1-3,8,13-14H,4-5H2,(H,16,17)/t8-/m0/s1
InChIKeyHPHYFEBYFORBEO-QMMMGPOBSA-N
MW269.28 g/mol
LogP0.70
Rot. Bonds2

About (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107721616) has the molecular formula C11H11NO5S and a molecular weight of 269.28 g/mol. Its IUPAC name is (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107721616
Molecular FormulaC11H11NO5S
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Name(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H11NO5S/c13-6-1-2-9(14)7(3-6)10(15)12-5-18-4-8(12)11(16)17/h1-3,8,13-14H,4-5H2,(H,16,17)/t8-/m0/s1
InChIKeyHPHYFEBYFORBEO-QMMMGPOBSA-N
XLogP0.70
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106500237
(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 115298473
4-(2,4-dihydroxybenzoyl)thiomorpholine-3-carboxylic acid
CID 82901491
4-(2-hydroxy-5-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 78980529
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359168
(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79749977
3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
3-(5-fluoro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55144207
(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161523
(4R)-3-(2,3,5-triiodobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63404859
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 107721616) is (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1cc(O)ccc1O.
What is the InChIKey of (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HPHYFEBYFORBEO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11NO5S/c13-6-1-2-9(14)7(3-6)10(15)12-5-18-4-8(12)11(16)17/h1-3,8,13-14H,4-5H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.28 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107721616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).