3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

C11H9BrClNO3S — CID 43359168

IUPAC3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H9BrClNO3S/c12-6-1-2-8(13)7(3-6)10(15)14-5-18-4-9(14)11(16)17/h1-3,9H,4-5H2,(H,16,17)
InChIKeyRUGLWRXPRACKOT-UHFFFAOYSA-N
MW350.62 g/mol
LogP2.70
Rot. Bonds2

About 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid

3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359168) has the molecular formula C11H9BrClNO3S and a molecular weight of 350.62 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359168
Molecular FormulaC11H9BrClNO3S
Molecular Weight350.62 g/mol
Exact Mass348.92
IUPAC Name3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H9BrClNO3S/c12-6-1-2-8(13)7(3-6)10(15)14-5-18-4-9(14)11(16)17/h1-3,9H,4-5H2,(H,16,17)
InChIKeyRUGLWRXPRACKOT-UHFFFAOYSA-N
XLogP2.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.62
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(2-chloro-5-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106500237
3-(4-bromo-2-methoxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 113295957
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
(2R)-1-(5-bromo-2-chlorobenzoyl)piperidine-2-carboxylic acid
CID 79034416
3-(5-chloro-2-methylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82880621
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-(2,5-dihydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107721616
(4R)-3-(2-amino-5-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161523
(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
(4R)-3-(5-fluoro-2-hydroxybenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 115298473
(4R)-3-(2,3,4-trifluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 79749977

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid (CID 43359168) is 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RUGLWRXPRACKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO3S/c12-6-1-2-8(13)7(3-6)10(15)14-5-18-4-9(14)11(16)17/h1-3,9H,4-5H2,(H,16,17).
What are the key properties of 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 350.62 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).