6-bromo-3-methoxy-1,2-benzothiazole

C8H6BrNOS — CID 83680243

IUPAC6-bromo-3-methoxy-1,2-benzothiazole
SMILESCOc1nsc2cc(Br)ccc12
InChIInChI=1S/C8H6BrNOS/c1-11-8-6-3-2-5(9)4-7(6)12-10-8/h2-4H,1H3
InChIKeyIKRBYHHKDVCUKB-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.07
Rot. Bonds1

About 6-bromo-3-methoxy-1,2-benzothiazole

6-bromo-3-methoxy-1,2-benzothiazole (PubChem CID 83680243) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 6-bromo-3-methoxy-1,2-benzothiazole.

Molecular Properties

Compound Name6-bromo-3-methoxy-1,2-benzothiazole
PubChem CID83680243
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name6-bromo-3-methoxy-1,2-benzothiazole
SMILESCOc1nsc2cc(Br)ccc12
InChIInChI=1S/C8H6BrNOS/c1-11-8-6-3-2-5(9)4-7(6)12-10-8/h2-4H,1H3
InChIKeyIKRBYHHKDVCUKB-UHFFFAOYSA-N
XLogP3.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-3-methoxy-1,2-benzothiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-Methoxy-1,2-benzisothiazole
CID 38736
3-Octoxy-1,2-benzothiazole
CID 57398501
1,2-Benzisothiazole, 3-ethoxy-
CID 592150
3-Allyloxy-1,2-benzisothiazole
CID 56619872
4-Bromo-3-methoxy-5-phenyl-1,2-thiazole
CID 134938489
3-(Fluoromethoxy)-1,2-benzothiazole
CID 139613345
(6-Bromo-1,2-benzothiazol-3-yl) trifluoromethanesulfonate
CID 146289365
3-Butoxy-1,2-benzisothiazole
CID 591887
2-(1,2-Benzothiazol-3-yloxy)acetonitrile
CID 13571135
3-(4-Bromophenyl)-6-methoxy-1,2-benzothiazole
CID 54037655
6-Bromo-3-(4-methoxyphenyl)-1,2-benzothiazole
CID 54544010
3-(tert-Butoxy)benzo[d]isothiazole
CID 59344608

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxy-1,2-benzothiazole?
The IUPAC name of 6-bromo-3-methoxy-1,2-benzothiazole (CID 83680243) is 6-bromo-3-methoxy-1,2-benzothiazole.
What is the SMILES notation for 6-bromo-3-methoxy-1,2-benzothiazole?
The canonical SMILES for 6-bromo-3-methoxy-1,2-benzothiazole is COc1nsc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-methoxy-1,2-benzothiazole?
The InChIKey is IKRBYHHKDVCUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c1-11-8-6-3-2-5(9)4-7(6)12-10-8/h2-4H,1H3.
What are the key properties of 6-bromo-3-methoxy-1,2-benzothiazole?
6-bromo-3-methoxy-1,2-benzothiazole has a molecular weight of 244.11 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methoxy-1,2-benzothiazole is sourced from PubChem (CID 83680243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).