ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate

C13H11BrN2O2S — CID 638599

IUPACethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
SMILESCCOC(=O)Cc1cn2c(n1)sc1cc(Br)ccc12
InChIInChI=1S/C13H11BrN2O2S/c1-2-18-12(17)6-9-7-16-10-4-3-8(14)5-11(10)19-13(16)15-9/h3-5,7H,2,6H2,1H3
InChIKeyGTKXIUJEQDJOFG-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.42
Rot. Bonds3

About ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate

ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate (PubChem CID 638599) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
PubChem CID638599
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC Nameethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate
SMILESCCOC(=O)Cc1cn2c(n1)sc1cc(Br)ccc12
InChIInChI=1S/C13H11BrN2O2S/c1-2-18-12(17)6-9-7-16-10-4-3-8(14)5-11(10)19-13(16)15-9/h3-5,7H,2,6H2,1H3
InChIKeyGTKXIUJEQDJOFG-UHFFFAOYSA-N
XLogP3.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate 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 ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate?
The IUPAC name of ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate (CID 638599) is ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate is CCOC(=O)Cc1cn2c(n1)sc1cc(Br)ccc12.
What is the InChIKey of ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate?
The InChIKey is GTKXIUJEQDJOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-2-18-12(17)6-9-7-16-10-4-3-8(14)5-11(10)19-13(16)15-9/h3-5,7H,2,6H2,1H3.
What are the key properties of ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate?
ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate has a molecular weight of 339.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-bromoimidazo[2,1-b][1,3]benzothiazol-2-yl)acetate is sourced from PubChem (CID 638599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).