6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole

C10H8BrNO2S — CID 139030926

IUPAC6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole
SMILESBrc1ccc2nc(OC3COC3)sc2c1
InChIInChI=1S/C10H8BrNO2S/c11-6-1-2-8-9(3-6)15-10(12-8)14-7-4-13-5-7/h1-3,7H,4-5H2
InChIKeyTYWUOBPXNHHDAG-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.84
Rot. Bonds2

About 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole

6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole (PubChem CID 139030926) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole
PubChem CID139030926
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Name6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole
SMILESBrc1ccc2nc(OC3COC3)sc2c1
InChIInChI=1S/C10H8BrNO2S/c11-6-1-2-8-9(3-6)15-10(12-8)14-7-4-13-5-7/h1-3,7H,4-5H2
InChIKeyTYWUOBPXNHHDAG-UHFFFAOYSA-N
XLogP2.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-5-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]cyclohexyl]oxy-4-methylpentan-2-one
CID 158902004
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
4-(6-bromo-1,3-benzothiazol-2-yl)-4-methyloxolan-3-amine
CID 79534209
6-bromo-N-(1,4-dioxan-2-ylmethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 155974732
5-bromo-2-(oxetan-3-yloxy)-1,3-thiazole
CID 172992254
2-(azetidin-3-yloxy)-6-fluoro-1,3-benzothiazole;hydrochloride
CID 142323036
5-bromo-2-(oxetan-3-yloxy)aniline
CID 115669715
3-(4-bromo-2-chlorophenoxy)oxetane
CID 118058057
3-(3-bromophenoxy)oxetane
CID 83487082
3-(6-bromo-1,3-benzothiazol-2-yl)cyclobutan-1-one
CID 67145925
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
2-(4-bromophenoxy)-1,3-benzothiazol-6-amine
CID 55175741

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole?
The IUPAC name of 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole (CID 139030926) is 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole?
The canonical SMILES for 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole is Brc1ccc2nc(OC3COC3)sc2c1.
What is the InChIKey of 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole?
The InChIKey is TYWUOBPXNHHDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c11-6-1-2-8-9(3-6)15-10(12-8)14-7-4-13-5-7/h1-3,7H,4-5H2.
What are the key properties of 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole?
6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole has a molecular weight of 286.15 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(oxetan-3-yloxy)-1,3-benzothiazole is sourced from PubChem (CID 139030926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).