2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol

C18H12FN3OS — CID 146253025

IUPAC2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESCc1cc(-c2nc3ccc(O)cc3s2)cnc1-c1ccc(F)nc1
InChIInChI=1S/C18H12FN3OS/c1-10-6-12(9-21-17(10)11-2-5-16(19)20-8-11)18-22-14-4-3-13(23)7-15(14)24-18/h2-9,23H,1H3
InChIKeyJVGOSFMMOQVUCQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.57
Rot. Bonds2

About 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol

2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol (PubChem CID 146253025) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol
PubChem CID146253025
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC Name2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol
SMILESCc1cc(-c2nc3ccc(O)cc3s2)cnc1-c1ccc(F)nc1
InChIInChI=1S/C18H12FN3OS/c1-10-6-12(9-21-17(10)11-2-5-16(19)20-8-11)18-22-14-4-3-13(23)7-15(14)24-18/h2-9,23H,1H3
InChIKeyJVGOSFMMOQVUCQ-UHFFFAOYSA-N
XLogP4.57
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol (CID 146253025) is 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol is Cc1cc(-c2nc3ccc(O)cc3s2)cnc1-c1ccc(F)nc1.
What is the InChIKey of 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol?
The InChIKey is JVGOSFMMOQVUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c1-10-6-12(9-21-17(10)11-2-5-16(19)20-8-11)18-22-14-4-3-13(23)7-15(14)24-18/h2-9,23H,1H3.
What are the key properties of 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol?
2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol has a molecular weight of 337.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-fluoro-3-pyridinyl)-5-methyl-3-pyridinyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 146253025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).