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

C14H13BrClNO3S — CID 107938010

IUPAC3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClNO3S/c15-9-3-8(4-10(16)5-9)12(18)17-11(14(19)20)6-21-13(17)7-1-2-7/h3-5,7,11,13H,1-2,6H2,(H,19,20)
InChIKeyKWYGSUWNOIBFCY-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.48
Rot. Bonds3

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

3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107938010) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID107938010
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC Name3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSC(C2CC2)N1C(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H13BrClNO3S/c15-9-3-8(4-10(16)5-9)12(18)17-11(14(19)20)6-21-13(17)7-1-2-7/h3-5,7,11,13H,1-2,6H2,(H,19,20)
InChIKeyKWYGSUWNOIBFCY-UHFFFAOYSA-N
XLogP3.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (CID 107938010) is 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSC(C2CC2)N1C(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KWYGSUWNOIBFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c15-9-3-8(4-10(16)5-9)12(18)17-11(14(19)20)6-21-13(17)7-1-2-7/h3-5,7,11,13H,1-2,6H2,(H,19,20).
What are the key properties of 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 390.69 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-chlorobenzoyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107938010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).