5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine

C13H9FN2OS — CID 43383127

IUPAC5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine
SMILESNc1c(Oc2cccc(F)c2)ccc2scnc12
InChIInChI=1S/C13H9FN2OS/c14-8-2-1-3-9(6-8)17-10-4-5-11-13(12(10)15)16-7-18-11/h1-7H,15H2
InChIKeyFCKJZXVTTBGXPA-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.81
Rot. Bonds2

About 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine

5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine (PubChem CID 43383127) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine
PubChem CID43383127
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine
SMILESNc1c(Oc2cccc(F)c2)ccc2scnc12
InChIInChI=1S/C13H9FN2OS/c14-8-2-1-3-9(6-8)17-10-4-5-11-13(12(10)15)16-7-18-11/h1-7H,15H2
InChIKeyFCKJZXVTTBGXPA-UHFFFAOYSA-N
XLogP3.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine (CID 43383127) is 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine is Nc1c(Oc2cccc(F)c2)ccc2scnc12.
What is the InChIKey of 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine?
The InChIKey is FCKJZXVTTBGXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-8-2-1-3-9(6-8)17-10-4-5-11-13(12(10)15)16-7-18-11/h1-7H,15H2.
What are the key properties of 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine?
5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine has a molecular weight of 260.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenoxy)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43383127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).