6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole

C8H5BrFNOS — CID 163252065

IUPAC6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole
SMILESCOc1c(Br)cc2scnc2c1F
InChIInChI=1S/C8H5BrFNOS/c1-12-8-4(9)2-5-7(6(8)10)11-3-13-5/h2-3H,1H3
InChIKeyXVENAIHHWLCBJS-UHFFFAOYSA-N
MW262.10 g/mol
LogP3.21
Rot. Bonds1

About 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole

6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole (PubChem CID 163252065) has the molecular formula C8H5BrFNOS and a molecular weight of 262.10 g/mol. Its IUPAC name is 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole
PubChem CID163252065
Molecular FormulaC8H5BrFNOS
Molecular Weight262.10 g/mol
Exact Mass260.93
IUPAC Name6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole
SMILESCOc1c(Br)cc2scnc2c1F
InChIInChI=1S/C8H5BrFNOS/c1-12-8-4(9)2-5-7(6(8)10)11-3-13-5/h2-3H,1H3
InChIKeyXVENAIHHWLCBJS-UHFFFAOYSA-N
XLogP3.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-methoxy-1,3-benzothiazole
CID 130937417
4,6-dimethoxy-1,3-benzothiazole
CID 54409935
6-fluoro-4-methyl-1,3-benzothiazole
CID 53413085
4-bromo-6-propan-2-yl-1,3-benzothiazole
CID 90896467
6-(1-aminopropan-2-yl)-4-bromo-2-fluoro-3-methoxyphenol
CID 84811300
4-bromo-6-chloro-2-fluoro-3-methoxyphenol
CID 84805039
6-amino-4-bromo-2-fluoro-3-methoxyphenol
CID 84797950
1-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanone
CID 84714598
2-(5-bromo-2,3-difluoro-4-methoxyphenyl)propan-2-ol
CID 84715078
6-fluoro-1,3-benzothiazol-4-amine
CID 53412806
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803867
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole?
The IUPAC name of 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole (CID 163252065) is 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole.
What is the SMILES notation for 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole?
The canonical SMILES for 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole is COc1c(Br)cc2scnc2c1F.
What is the InChIKey of 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole?
The InChIKey is XVENAIHHWLCBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNOS/c1-12-8-4(9)2-5-7(6(8)10)11-3-13-5/h2-3H,1H3.
What are the key properties of 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole?
6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole has a molecular weight of 262.10 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-5-methoxy-1,3-benzothiazole is sourced from PubChem (CID 163252065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).