2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid

C10H10BrNO2S — CID 2787214

IUPAC2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cccc(Br)c2)N1
InChIInChI=1S/C10H10BrNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKeyLZVZEQCJORCGOK-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.24
Rot. Bonds2

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

2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 2787214) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID2787214
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(c2cccc(Br)c2)N1
InChIInChI=1S/C10H10BrNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChIKeyLZVZEQCJORCGOK-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid (CID 2787214) is 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(c2cccc(Br)c2)N1.
What is the InChIKey of 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LZVZEQCJORCGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S/c11-7-3-1-2-6(4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14).
What are the key properties of 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid?
2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.17 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 2787214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).