5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine

C9H6FN3O3S — CID 87638687

IUPAC5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine
SMILESNc1ncc(Oc2ccc([N+](=O)[O-])cc2F)s1
InChIInChI=1S/C9H6FN3O3S/c10-6-3-5(13(14)15)1-2-7(6)16-8-4-12-9(11)17-8/h1-4H,(H2,11,12)
InChIKeyKDTABHQJJRRBEO-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.56
Rot. Bonds3

About 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine

5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine (PubChem CID 87638687) has the molecular formula C9H6FN3O3S and a molecular weight of 255.23 g/mol. Its IUPAC name is 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine
PubChem CID87638687
Molecular FormulaC9H6FN3O3S
Molecular Weight255.23 g/mol
Exact Mass255.01
IUPAC Name5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine
SMILESNc1ncc(Oc2ccc([N+](=O)[O-])cc2F)s1
InChIInChI=1S/C9H6FN3O3S/c10-6-3-5(13(14)15)1-2-7(6)16-8-4-12-9(11)17-8/h1-4H,(H2,11,12)
InChIKeyKDTABHQJJRRBEO-UHFFFAOYSA-N
XLogP2.56
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine (CID 87638687) is 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine is Nc1ncc(Oc2ccc([N+](=O)[O-])cc2F)s1.
What is the InChIKey of 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine?
The InChIKey is KDTABHQJJRRBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O3S/c10-6-3-5(13(14)15)1-2-7(6)16-8-4-12-9(11)17-8/h1-4H,(H2,11,12).
What are the key properties of 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine?
5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine has a molecular weight of 255.23 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-nitrophenoxy)-1,3-thiazol-2-amine is sourced from PubChem (CID 87638687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).