N-fluoro-1,3-thiazol-2-amine

C3H3FN2S — CID 87136394

IUPACN-fluoro-1,3-thiazol-2-amine
SMILESFNc1nccs1
InChIInChI=1S/C3H3FN2S/c4-6-3-5-1-2-7-3/h1-2H,(H,5,6)
InChIKeyUMZILBNIYISTOB-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.44
Rot. Bonds1

About N-fluoro-1,3-thiazol-2-amine

N-fluoro-1,3-thiazol-2-amine (PubChem CID 87136394) has the molecular formula C3H3FN2S and a molecular weight of 118.14 g/mol. Its IUPAC name is N-fluoro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-fluoro-1,3-thiazol-2-amine
PubChem CID87136394
Molecular FormulaC3H3FN2S
Molecular Weight118.14 g/mol
Exact Mass118.00
IUPAC NameN-fluoro-1,3-thiazol-2-amine
SMILESFNc1nccs1
InChIInChI=1S/C3H3FN2S/c4-6-3-5-1-2-7-3/h1-2H,(H,5,6)
InChIKeyUMZILBNIYISTOB-UHFFFAOYSA-N
XLogP1.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-fluoro-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 N-fluoro-1,3-thiazol-2-amine?
The IUPAC name of N-fluoro-1,3-thiazol-2-amine (CID 87136394) is N-fluoro-1,3-thiazol-2-amine.
What is the SMILES notation for N-fluoro-1,3-thiazol-2-amine?
The canonical SMILES for N-fluoro-1,3-thiazol-2-amine is FNc1nccs1.
What is the InChIKey of N-fluoro-1,3-thiazol-2-amine?
The InChIKey is UMZILBNIYISTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2S/c4-6-3-5-1-2-7-3/h1-2H,(H,5,6).
What are the key properties of N-fluoro-1,3-thiazol-2-amine?
N-fluoro-1,3-thiazol-2-amine has a molecular weight of 118.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1,3-thiazol-2-amine is sourced from PubChem (CID 87136394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).