propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate

C13H12N2O2S — CID 14067630

IUPACpropyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCCOC(=O)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C13H12N2O2S/c1-2-7-17-12(16)9-8-15-10-5-3-4-6-11(10)18-13(15)14-9/h3-6,8H,2,7H2,1H3
InChIKeyXQAKERFJMNECIA-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.12
Rot. Bonds3

About propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate

propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate (PubChem CID 14067630) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate.

Molecular Properties

Compound Namepropyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
PubChem CID14067630
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Namepropyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate
SMILESCCCOC(=O)c1cn2c(n1)sc1ccccc12
InChIInChI=1S/C13H12N2O2S/c1-2-7-17-12(16)9-8-15-10-5-3-4-6-11(10)18-13(15)14-9/h3-6,8H,2,7H2,1H3
InChIKeyXQAKERFJMNECIA-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate 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 propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The IUPAC name of propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CID 14067630) is propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
What is the SMILES notation for propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The canonical SMILES for propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate is CCCOC(=O)c1cn2c(n1)sc1ccccc12.
What is the InChIKey of propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The InChIKey is XQAKERFJMNECIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-2-7-17-12(16)9-8-15-10-5-3-4-6-11(10)18-13(15)14-9/h3-6,8H,2,7H2,1H3.
What are the key properties of propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate has a molecular weight of 260.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl imidazo[2,1-b][1,3]benzothiazole-2-carboxylate is sourced from PubChem (CID 14067630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).