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

C10H9BrClNO2S — CID 83229962

IUPAC2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(Cl)c(Br)c2)N1
InChIInChI=1S/C10H9BrClNO2S/c11-6-3-5(1-2-7(6)12)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15)
InChIKeyGWMLSYRMSGBZQX-UHFFFAOYSA-N
MW322.61 g/mol
LogP2.89
Rot. Bonds2

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

2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 83229962) has the molecular formula C10H9BrClNO2S and a molecular weight of 322.61 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID83229962
Molecular FormulaC10H9BrClNO2S
Molecular Weight322.61 g/mol
Exact Mass320.92
IUPAC Name2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2ccc(Cl)c(Br)c2)N1
InChIInChI=1S/C10H9BrClNO2S/c11-6-3-5(1-2-7(6)12)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15)
InChIKeyGWMLSYRMSGBZQX-UHFFFAOYSA-N
XLogP2.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 83229962) is 2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2ccc(Cl)c(Br)c2)N1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GWMLSYRMSGBZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO2S/c11-6-3-5(1-2-7(6)12)9-13-8(4-16-9)10(14)15/h1-3,8-9,13H,4H2,(H,14,15).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 322.61 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 83229962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).