3-(2-bromophenoxy)-2,1-benzothiazole

C13H8BrNOS — CID 66353392

IUPAC3-(2-bromophenoxy)-2,1-benzothiazole
SMILESBrc1ccccc1Oc1snc2ccccc12
InChIInChI=1S/C13H8BrNOS/c14-10-6-2-4-8-12(10)16-13-9-5-1-3-7-11(9)15-17-13/h1-8H
InChIKeyMAKQWYSSNGXAKK-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.85
Rot. Bonds2

About 3-(2-bromophenoxy)-2,1-benzothiazole

3-(2-bromophenoxy)-2,1-benzothiazole (PubChem CID 66353392) has the molecular formula C13H8BrNOS and a molecular weight of 306.18 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-2,1-benzothiazole.

Molecular Properties

Compound Name3-(2-bromophenoxy)-2,1-benzothiazole
PubChem CID66353392
Molecular FormulaC13H8BrNOS
Molecular Weight306.18 g/mol
Exact Mass304.95
IUPAC Name3-(2-bromophenoxy)-2,1-benzothiazole
SMILESBrc1ccccc1Oc1snc2ccccc12
InChIInChI=1S/C13H8BrNOS/c14-10-6-2-4-8-12(10)16-13-9-5-1-3-7-11(9)15-17-13/h1-8H
InChIKeyMAKQWYSSNGXAKK-UHFFFAOYSA-N
XLogP4.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-bromophenoxy)-2,1-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-2,1-benzothiazole
CID 12210648
3-(2-Bromo-4-fluorophenoxy)-2,1-benzothiazole
CID 66353393
4-(2,1-Benzothiazol-3-yloxy)-3-fluoroaniline
CID 66353408
4-(2,1-Benzothiazol-3-yloxy)-2-fluoroaniline
CID 66354036
3-(4-Bromo-3-fluorophenoxy)-2,1-benzothiazole
CID 66354228
2-(2,1-Benzothiazol-3-yloxy)-5-fluoroaniline
CID 66354453
4-(2,1-Benzothiazol-3-yloxy)-2,5-difluoroaniline
CID 66354455
2-(2,1-Benzothiazol-3-yloxy)-4-fluoroaniline
CID 66356362
[2-(2,1-Benzothiazol-3-yloxy)-6-fluorophenyl]methanamine
CID 66356379
[4-(2,1-Benzothiazol-3-yloxy)-2-fluorophenyl]methanamine
CID 80454024
3-(3-Bromo-5-fluorophenoxy)-2,1-benzothiazole
CID 81331802
3-(2-Bromo-5-fluorophenoxy)-2,1-benzothiazole
CID 81531117

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-2,1-benzothiazole?
The IUPAC name of 3-(2-bromophenoxy)-2,1-benzothiazole (CID 66353392) is 3-(2-bromophenoxy)-2,1-benzothiazole.
What is the SMILES notation for 3-(2-bromophenoxy)-2,1-benzothiazole?
The canonical SMILES for 3-(2-bromophenoxy)-2,1-benzothiazole is Brc1ccccc1Oc1snc2ccccc12.
What is the InChIKey of 3-(2-bromophenoxy)-2,1-benzothiazole?
The InChIKey is MAKQWYSSNGXAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNOS/c14-10-6-2-4-8-12(10)16-13-9-5-1-3-7-11(9)15-17-13/h1-8H.
What are the key properties of 3-(2-bromophenoxy)-2,1-benzothiazole?
3-(2-bromophenoxy)-2,1-benzothiazole has a molecular weight of 306.18 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-2,1-benzothiazole is sourced from PubChem (CID 66353392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).