7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole

C8H5BrFNOS — CID 131985770

IUPAC7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole
SMILESCOc1c(F)cc2cnsc2c1Br
InChIInChI=1S/C8H5BrFNOS/c1-12-7-5(10)2-4-3-11-13-8(4)6(7)9/h2-3H,1H3
InChIKeyGOUJHSJFBNPJRR-UHFFFAOYSA-N
MW262.10 g/mol
LogP3.21
Rot. Bonds1

About 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole

7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole (PubChem CID 131985770) has the molecular formula C8H5BrFNOS and a molecular weight of 262.10 g/mol. Its IUPAC name is 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole.

Molecular Properties

Compound Name7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole
PubChem CID131985770
Molecular FormulaC8H5BrFNOS
Molecular Weight262.10 g/mol
Exact Mass260.93
IUPAC Name7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole
SMILESCOc1c(F)cc2cnsc2c1Br
InChIInChI=1S/C8H5BrFNOS/c1-12-7-5(10)2-4-3-11-13-8(4)6(7)9/h2-3H,1H3
InChIKeyGOUJHSJFBNPJRR-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole?
The IUPAC name of 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole (CID 131985770) is 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole.
What is the SMILES notation for 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole?
The canonical SMILES for 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole is COc1c(F)cc2cnsc2c1Br.
What is the InChIKey of 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole?
The InChIKey is GOUJHSJFBNPJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNOS/c1-12-7-5(10)2-4-3-11-13-8(4)6(7)9/h2-3H,1H3.
What are the key properties of 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole?
7-bromo-5-fluoro-6-methoxy-1,2-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 7-bromo-5-fluoro-6-methoxy-1,2-benzothiazole is sourced from PubChem (CID 131985770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).