7-fluoro-1,3-benzothiazol-2-amine

C7H5FN2S — CID 14892245

IUPAC7-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2cccc(F)c2s1
InChIInChI=1S/C7H5FN2S/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyYWMZTMFZBAXQSS-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.02
Rot. Bonds

About 7-fluoro-1,3-benzothiazol-2-amine

7-fluoro-1,3-benzothiazol-2-amine (PubChem CID 14892245) has the molecular formula C7H5FN2S and a molecular weight of 168.20 g/mol. Its IUPAC name is 7-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-fluoro-1,3-benzothiazol-2-amine
PubChem CID14892245
Molecular FormulaC7H5FN2S
Molecular Weight168.20 g/mol
Exact Mass168.02
IUPAC Name7-fluoro-1,3-benzothiazol-2-amine
SMILESNc1nc2cccc(F)c2s1
InChIInChI=1S/C7H5FN2S/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyYWMZTMFZBAXQSS-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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of 7-fluoro-1,3-benzothiazol-2-amine (CID 14892245) is 7-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-fluoro-1,3-benzothiazol-2-amine is Nc1nc2cccc(F)c2s1.
What is the InChIKey of 7-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is YWMZTMFZBAXQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2S/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H2,9,10).
What are the key properties of 7-fluoro-1,3-benzothiazol-2-amine?
7-fluoro-1,3-benzothiazol-2-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 7-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 14892245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).