(6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine

C8H6BrFN2S — CID 165480748

IUPAC(6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine
SMILESNCc1nsc2c(F)c(Br)ccc12
InChIInChI=1S/C8H6BrFN2S/c9-5-2-1-4-6(3-11)12-13-8(4)7(5)10/h1-2H,3,11H2
InChIKeyZGZHGOSHBPZEGA-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.66
Rot. Bonds1

About (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine

(6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine (PubChem CID 165480748) has the molecular formula C8H6BrFN2S and a molecular weight of 261.12 g/mol. Its IUPAC name is (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine
PubChem CID165480748
Molecular FormulaC8H6BrFN2S
Molecular Weight261.12 g/mol
Exact Mass259.94
IUPAC Name(6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine
SMILESNCc1nsc2c(F)c(Br)ccc12
InChIInChI=1S/C8H6BrFN2S/c9-5-2-1-4-6(3-11)12-13-8(4)7(5)10/h1-2H,3,11H2
InChIKeyZGZHGOSHBPZEGA-UHFFFAOYSA-N
XLogP2.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine?
The IUPAC name of (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine (CID 165480748) is (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine.
What is the SMILES notation for (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine?
The canonical SMILES for (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine is NCc1nsc2c(F)c(Br)ccc12.
What is the InChIKey of (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine?
The InChIKey is ZGZHGOSHBPZEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2S/c9-5-2-1-4-6(3-11)12-13-8(4)7(5)10/h1-2H,3,11H2.
What are the key properties of (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine?
(6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine has a molecular weight of 261.12 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-7-fluoro-1,2-benzothiazol-3-yl)methanamine is sourced from PubChem (CID 165480748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).