5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole

C12H7FN2S — CID 59282943

IUPAC5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole
SMILESFc1ccc(-c2ccc3scnc3c2)nc1
InChIInChI=1S/C12H7FN2S/c13-9-2-3-10(14-6-9)8-1-4-12-11(5-8)15-7-16-12/h1-7H
InChIKeyHPULBUTWWSPFRP-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.50
Rot. Bonds1

About 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole

5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole (PubChem CID 59282943) has the molecular formula C12H7FN2S and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole
PubChem CID59282943
Molecular FormulaC12H7FN2S
Molecular Weight230.27 g/mol
Exact Mass230.03
IUPAC Name5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole
SMILESFc1ccc(-c2ccc3scnc3c2)nc1
InChIInChI=1S/C12H7FN2S/c13-9-2-3-10(14-6-9)8-1-4-12-11(5-8)15-7-16-12/h1-7H
InChIKeyHPULBUTWWSPFRP-UHFFFAOYSA-N
XLogP3.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole?
The IUPAC name of 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole (CID 59282943) is 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole.
What is the SMILES notation for 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole?
The canonical SMILES for 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole is Fc1ccc(-c2ccc3scnc3c2)nc1.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole?
The InChIKey is HPULBUTWWSPFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2S/c13-9-2-3-10(14-6-9)8-1-4-12-11(5-8)15-7-16-12/h1-7H.
What are the key properties of 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole?
5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole has a molecular weight of 230.27 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole is sourced from PubChem (CID 59282943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).