5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine

C9H8FN3OS — CID 87639165

IUPAC5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine
SMILESNc1ccc(Oc2cnc(N)s2)c(F)c1
InChIInChI=1S/C9H8FN3OS/c10-6-3-5(11)1-2-7(6)14-8-4-13-9(12)15-8/h1-4H,11H2,(H2,12,13)
InChIKeyAWOBOJCFKRCCHW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.24
Rot. Bonds2

About 5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine

5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine (PubChem CID 87639165) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine
PubChem CID87639165
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine
SMILESNc1ccc(Oc2cnc(N)s2)c(F)c1
InChIInChI=1S/C9H8FN3OS/c10-6-3-5(11)1-2-7(6)14-8-4-13-9(12)15-8/h1-4H,11H2,(H2,12,13)
InChIKeyAWOBOJCFKRCCHW-UHFFFAOYSA-N
XLogP2.24
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine (CID 87639165) is 5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine is Nc1ccc(Oc2cnc(N)s2)c(F)c1.
What is the InChIKey of 5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine?
The InChIKey is AWOBOJCFKRCCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-6-3-5(11)1-2-7(6)14-8-4-13-9(12)15-8/h1-4H,11H2,(H2,12,13).
What are the key properties of 5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine?
5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-fluorophenoxy)-1,3-thiazol-2-amine is sourced from PubChem (CID 87639165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).