5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine

C13H8F2N2OS — CID 43451472

IUPAC5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine
SMILESNc1c(Oc2ccc(F)cc2F)ccc2scnc12
InChIInChI=1S/C13H8F2N2OS/c14-7-1-2-9(8(15)5-7)18-10-3-4-11-13(12(10)16)17-6-19-11/h1-6H,16H2
InChIKeyRFRBFNHHHFTURJ-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.95
Rot. Bonds2

About 5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine

5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine (PubChem CID 43451472) has the molecular formula C13H8F2N2OS and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine
PubChem CID43451472
Molecular FormulaC13H8F2N2OS
Molecular Weight278.28 g/mol
Exact Mass278.03
IUPAC Name5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine
SMILESNc1c(Oc2ccc(F)cc2F)ccc2scnc12
InChIInChI=1S/C13H8F2N2OS/c14-7-1-2-9(8(15)5-7)18-10-3-4-11-13(12(10)16)17-6-19-11/h1-6H,16H2
InChIKeyRFRBFNHHHFTURJ-UHFFFAOYSA-N
XLogP3.95
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.95
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-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine (CID 43451472) is 5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine is Nc1c(Oc2ccc(F)cc2F)ccc2scnc12.
What is the InChIKey of 5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine?
The InChIKey is RFRBFNHHHFTURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2OS/c14-7-1-2-9(8(15)5-7)18-10-3-4-11-13(12(10)16)17-6-19-11/h1-6H,16H2.
What are the key properties of 5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine?
5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine has a molecular weight of 278.28 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 43451472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).