imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride

C10H9Cl2N3S — CID 172768799

IUPACimidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride
SMILESC1=Nc2ccccc2Sc2nccn21.Cl.Cl
InChIInChI=1S/C10H7N3S.2ClH/c1-2-4-9-8(3-1)12-7-13-6-5-11-10(13)14-9;;/h1-7H;2*1H
InChIKeyMRBXDUSCSNRJDD-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.40
Rot. Bonds

About imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride

imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride (PubChem CID 172768799) has the molecular formula C10H9Cl2N3S and a molecular weight of 274.18 g/mol. Its IUPAC name is imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride
PubChem CID172768799
Molecular FormulaC10H9Cl2N3S
Molecular Weight274.18 g/mol
Exact Mass272.99
IUPAC Nameimidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride
SMILESC1=Nc2ccccc2Sc2nccn21.Cl.Cl
InChIInChI=1S/C10H7N3S.2ClH/c1-2-4-9-8(3-1)12-7-13-6-5-11-10(13)14-9;;/h1-7H;2*1H
InChIKeyMRBXDUSCSNRJDD-UHFFFAOYSA-N
XLogP3.40
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride 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 imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride?
The IUPAC name of imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride (CID 172768799) is imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride.
What is the SMILES notation for imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride?
The canonical SMILES for imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride is C1=Nc2ccccc2Sc2nccn21.Cl.Cl.
What is the InChIKey of imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride?
The InChIKey is MRBXDUSCSNRJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S.2ClH/c1-2-4-9-8(3-1)12-7-13-6-5-11-10(13)14-9;;/h1-7H;2*1H.
What are the key properties of imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride?
imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride has a molecular weight of 274.18 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3,5]benzothiadiazepine;dihydrochloride is sourced from PubChem (CID 172768799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).