4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide

C11H11BrN2S — CID 2807475

IUPAC4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide
SMILESBr.Nc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C11H10N2S.BrH/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11;/h1-4H,5-6H2,(H2,12,13);1H
InChIKeyMLUCGQJSQHEYRX-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.07
Rot. Bonds

About 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide

4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide (PubChem CID 2807475) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide
PubChem CID2807475
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide
SMILESBr.Nc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C11H10N2S.BrH/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11;/h1-4H,5-6H2,(H2,12,13);1H
InChIKeyMLUCGQJSQHEYRX-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide 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 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide?
The IUPAC name of 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide (CID 2807475) is 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide.
What is the SMILES notation for 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide?
The canonical SMILES for 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide is Br.Nc1nc2c(s1)CCc1ccccc1-2.
What is the InChIKey of 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide?
The InChIKey is MLUCGQJSQHEYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S.BrH/c12-11-13-10-8-4-2-1-3-7(8)5-6-9(10)14-11;/h1-4H,5-6H2,(H2,12,13);1H.
What are the key properties of 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide?
4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide has a molecular weight of 283.19 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine;hydrobromide is sourced from PubChem (CID 2807475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).