4-fluoro-1,3-benzothiazol-6-amine

C7H5FN2S — CID 90134427

IUPAC4-fluoro-1,3-benzothiazol-6-amine
SMILESNc1cc(F)c2ncsc2c1
InChIInChI=1S/C7H5FN2S/c8-5-1-4(9)2-6-7(5)10-3-11-6/h1-3H,9H2
InChIKeyBIUBYHNHTIPRCU-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.02
Rot. Bonds

About 4-fluoro-1,3-benzothiazol-6-amine

4-fluoro-1,3-benzothiazol-6-amine (PubChem CID 90134427) has the molecular formula C7H5FN2S and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-fluoro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name4-fluoro-1,3-benzothiazol-6-amine
PubChem CID90134427
Molecular FormulaC7H5FN2S
Molecular Weight168.20 g/mol
Exact Mass168.02
IUPAC Name4-fluoro-1,3-benzothiazol-6-amine
SMILESNc1cc(F)c2ncsc2c1
InChIInChI=1S/C7H5FN2S/c8-5-1-4(9)2-6-7(5)10-3-11-6/h1-3H,9H2
InChIKeyBIUBYHNHTIPRCU-UHFFFAOYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-1,3-benzothiazol-6-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 4-fluoro-1,3-benzothiazol-6-amine?
The IUPAC name of 4-fluoro-1,3-benzothiazol-6-amine (CID 90134427) is 4-fluoro-1,3-benzothiazol-6-amine.
What is the SMILES notation for 4-fluoro-1,3-benzothiazol-6-amine?
The canonical SMILES for 4-fluoro-1,3-benzothiazol-6-amine is Nc1cc(F)c2ncsc2c1.
What is the InChIKey of 4-fluoro-1,3-benzothiazol-6-amine?
The InChIKey is BIUBYHNHTIPRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2S/c8-5-1-4(9)2-6-7(5)10-3-11-6/h1-3H,9H2.
What are the key properties of 4-fluoro-1,3-benzothiazol-6-amine?
4-fluoro-1,3-benzothiazol-6-amine has a molecular weight of 168.20 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 90134427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).