5-(6-fluoro-2-pyridinyl)-1,3-thiazole

C8H5FN2S — CID 130120231

IUPAC5-(6-fluoro-2-pyridinyl)-1,3-thiazole
SMILESFc1cccc(-c2cncs2)n1
InChIInChI=1S/C8H5FN2S/c9-8-3-1-2-6(11-8)7-4-10-5-12-7/h1-5H
InChIKeyGPHKVBLESGFFEP-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.34
Rot. Bonds1

About 5-(6-fluoro-2-pyridinyl)-1,3-thiazole

5-(6-fluoro-2-pyridinyl)-1,3-thiazole (PubChem CID 130120231) has the molecular formula C8H5FN2S and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(6-fluoro-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(6-fluoro-2-pyridinyl)-1,3-thiazole
PubChem CID130120231
Molecular FormulaC8H5FN2S
Molecular Weight180.21 g/mol
Exact Mass180.02
IUPAC Name5-(6-fluoro-2-pyridinyl)-1,3-thiazole
SMILESFc1cccc(-c2cncs2)n1
InChIInChI=1S/C8H5FN2S/c9-8-3-1-2-6(11-8)7-4-10-5-12-7/h1-5H
InChIKeyGPHKVBLESGFFEP-UHFFFAOYSA-N
XLogP2.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 5-(6-fluoro-2-pyridinyl)-1,3-thiazole (CID 130120231) is 5-(6-fluoro-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 5-(6-fluoro-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 5-(6-fluoro-2-pyridinyl)-1,3-thiazole is Fc1cccc(-c2cncs2)n1.
What is the InChIKey of 5-(6-fluoro-2-pyridinyl)-1,3-thiazole?
The InChIKey is GPHKVBLESGFFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2S/c9-8-3-1-2-6(11-8)7-4-10-5-12-7/h1-5H.
What are the key properties of 5-(6-fluoro-2-pyridinyl)-1,3-thiazole?
5-(6-fluoro-2-pyridinyl)-1,3-thiazole has a molecular weight of 180.21 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 130120231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).