6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine

C12H8FN3S — CID 20634346

IUPAC6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine
SMILESNc1cc2c(-c3ccccn3)nsc2cc1F
InChIInChI=1S/C12H8FN3S/c13-8-6-11-7(5-9(8)14)12(16-17-11)10-3-1-2-4-15-10/h1-6H,14H2
InChIKeyCTLJMSDAXQLLQL-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.08
Rot. Bonds1

About 6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine

6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine (PubChem CID 20634346) has the molecular formula C12H8FN3S and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine.

Molecular Properties

Compound Name6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine
PubChem CID20634346
Molecular FormulaC12H8FN3S
Molecular Weight245.28 g/mol
Exact Mass245.04
IUPAC Name6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine
SMILESNc1cc2c(-c3ccccn3)nsc2cc1F
InChIInChI=1S/C12H8FN3S/c13-8-6-11-7(5-9(8)14)12(16-17-11)10-3-1-2-4-15-10/h1-6H,14H2
InChIKeyCTLJMSDAXQLLQL-UHFFFAOYSA-N
XLogP3.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3-pyridin-2-yl-1,2-benzothiazol-5-amine?
The IUPAC name of 6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine (CID 20634346) is 6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine.
What is the SMILES notation for 6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine?
The canonical SMILES for 6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine is Nc1cc2c(-c3ccccn3)nsc2cc1F.
What is the InChIKey of 6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine?
The InChIKey is CTLJMSDAXQLLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S/c13-8-6-11-7(5-9(8)14)12(16-17-11)10-3-1-2-4-15-10/h1-6H,14H2.
What are the key properties of 6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine?
6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine has a molecular weight of 245.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-pyridin-2-yl-1,2-benzothiazol-5-amine is sourced from PubChem (CID 20634346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).