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

C7H5FN2S — CID 118834960

IUPAC2-fluoro-1,3-benzothiazol-4-amine
SMILESNc1cccc2sc(F)nc12
InChIInChI=1S/C7H5FN2S/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H,9H2
InChIKeyFFDLKWMELSIHLY-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.02
Rot. Bonds

About 2-fluoro-1,3-benzothiazol-4-amine

2-fluoro-1,3-benzothiazol-4-amine (PubChem CID 118834960) has the molecular formula C7H5FN2S and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-fluoro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-fluoro-1,3-benzothiazol-4-amine
PubChem CID118834960
Molecular FormulaC7H5FN2S
Molecular Weight168.20 g/mol
Exact Mass168.02
IUPAC Name2-fluoro-1,3-benzothiazol-4-amine
SMILESNc1cccc2sc(F)nc12
InChIInChI=1S/C7H5FN2S/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H,9H2
InChIKeyFFDLKWMELSIHLY-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 2-fluoro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-fluoro-1,3-benzothiazol-4-amine (CID 118834960) is 2-fluoro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-fluoro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-fluoro-1,3-benzothiazol-4-amine is Nc1cccc2sc(F)nc12.
What is the InChIKey of 2-fluoro-1,3-benzothiazol-4-amine?
The InChIKey is FFDLKWMELSIHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2S/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H,9H2.
What are the key properties of 2-fluoro-1,3-benzothiazol-4-amine?
2-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 2-fluoro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 118834960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).