1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine

C9H9FN2S — CID 10313528

IUPAC1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine
SMILESCC(N)c1nc2ccc(F)cc2s1
InChIInChI=1S/C9H9FN2S/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9/h2-5H,11H2,1H3
InChIKeyLMYJCUHGXCJZJF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.46
Rot. Bonds1

About 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine

1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 10313528) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine
PubChem CID10313528
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC Name1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine
SMILESCC(N)c1nc2ccc(F)cc2s1
InChIInChI=1S/C9H9FN2S/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9/h2-5H,11H2,1H3
InChIKeyLMYJCUHGXCJZJF-UHFFFAOYSA-N
XLogP2.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine (CID 10313528) is 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine is CC(N)c1nc2ccc(F)cc2s1.
What is the InChIKey of 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is LMYJCUHGXCJZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9/h2-5H,11H2,1H3.
What are the key properties of 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine?
1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 196.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 10313528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).