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

C7H5FN2S — CID 53412806

IUPAC6-fluoro-1,3-benzothiazol-4-amine
SMILESNc1cc(F)cc2scnc12
InChIInChI=1S/C7H5FN2S/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H,9H2
InChIKeyPIAFPNZCAIOJAY-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.02
Rot. Bonds

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

6-fluoro-1,3-benzothiazol-4-amine (PubChem CID 53412806) has the molecular formula C7H5FN2S and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-fluoro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name6-fluoro-1,3-benzothiazol-4-amine
PubChem CID53412806
Molecular FormulaC7H5FN2S
Molecular Weight168.20 g/mol
Exact Mass168.02
IUPAC Name6-fluoro-1,3-benzothiazol-4-amine
SMILESNc1cc(F)cc2scnc12
InChIInChI=1S/C7H5FN2S/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H,9H2
InChIKeyPIAFPNZCAIOJAY-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-benzothiazol-4-amine?
The IUPAC name of 6-fluoro-1,3-benzothiazol-4-amine (CID 53412806) is 6-fluoro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 6-fluoro-1,3-benzothiazol-4-amine?
The canonical SMILES for 6-fluoro-1,3-benzothiazol-4-amine is Nc1cc(F)cc2scnc12.
What is the InChIKey of 6-fluoro-1,3-benzothiazol-4-amine?
The InChIKey is PIAFPNZCAIOJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2S/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H,9H2.
What are the key properties of 6-fluoro-1,3-benzothiazol-4-amine?
6-fluoro-1,3-benzothiazol-4-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 6-fluoro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 53412806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).