[2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine

C14H11FN2OS — CID 66356379

IUPAC[2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1Oc1snc2ccccc12
InChIInChI=1S/C14H11FN2OS/c15-11-5-3-7-13(10(11)8-16)18-14-9-4-1-2-6-12(9)17-19-14/h1-7H,8,16H2
InChIKeyJGZAHWODGSOWGL-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.69
Rot. Bonds3

About [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine

[2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine (PubChem CID 66356379) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine
PubChem CID66356379
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name[2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cccc1Oc1snc2ccccc12
InChIInChI=1S/C14H11FN2OS/c15-11-5-3-7-13(10(11)8-16)18-14-9-4-1-2-6-12(9)17-19-14/h1-7H,8,16H2
InChIKeyJGZAHWODGSOWGL-UHFFFAOYSA-N
XLogP3.69
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine?
The IUPAC name of [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine (CID 66356379) is [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine is NCc1c(F)cccc1Oc1snc2ccccc12.
What is the InChIKey of [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine?
The InChIKey is JGZAHWODGSOWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-11-5-3-7-13(10(11)8-16)18-14-9-4-1-2-6-12(9)17-19-14/h1-7H,8,16H2.
What are the key properties of [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine?
[2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine has a molecular weight of 274.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,1-benzothiazol-3-yloxy)-6-fluorophenyl]methanamine is sourced from PubChem (CID 66356379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).