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

C11H10ClNO4S — CID 106500237

IUPAC(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H10ClNO4S/c12-8-2-1-6(14)3-7(8)10(15)13-5-18-4-9(13)11(16)17/h1-3,9,14H,4-5H2,(H,16,17)/t9-/m0/s1
InChIKeyJQXYKYVOOZFEEM-VIFPVBQESA-N
MW287.72 g/mol
LogP1.65
Rot. Bonds2

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

(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 106500237) has the molecular formula C11H10ClNO4S and a molecular weight of 287.72 g/mol. Its IUPAC name is (4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID106500237
Molecular FormulaC11H10ClNO4S
Molecular Weight287.72 g/mol
Exact Mass287.00
IUPAC Name(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C11H10ClNO4S/c12-8-2-1-6(14)3-7(8)10(15)13-5-18-4-9(13)11(16)17/h1-3,9,14H,4-5H2,(H,16,17)/t9-/m0/s1
InChIKeyJQXYKYVOOZFEEM-VIFPVBQESA-N
XLogP1.65
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107721616
3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359168
3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 106500348
3-[2-[[2-(4-carboxy-1,3-thiazolidine-3-carbonyl)-4-chlorophenyl]disulfanyl]-5-chlorobenzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 10627468
(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 115298473
3-(2-chloro-5-hydroxybenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 106500299
(4S)-3-[4-chloro-3-(4-chlorophenyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 11639536
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
4-(2,4-dihydroxybenzoyl)thiomorpholine-3-carboxylic acid
CID 82901491
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79749977

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 106500237) is (4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of (4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JQXYKYVOOZFEEM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10ClNO4S/c12-8-2-1-6(14)3-7(8)10(15)13-5-18-4-9(13)11(16)17/h1-3,9,14H,4-5H2,(H,16,17)/t9-/m0/s1.
What are the key properties of (4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.72 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 106500237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).