[6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol

C15H11FN2OS — CID 54493409

IUPAC[6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol
SMILESOCc1cccc(C=Cc2nc3cc(F)ccc3s2)n1
InChIInChI=1S/C15H11FN2OS/c16-10-4-6-14-13(8-10)18-15(20-14)7-5-11-2-1-3-12(9-19)17-11/h1-8,19H,9H2
InChIKeyXXJLEQVTYZMHMG-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.49
Rot. Bonds3

About [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol

[6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol (PubChem CID 54493409) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol
PubChem CID54493409
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name[6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol
SMILESOCc1cccc(C=Cc2nc3cc(F)ccc3s2)n1
InChIInChI=1S/C15H11FN2OS/c16-10-4-6-14-13(8-10)18-15(20-14)7-5-11-2-1-3-12(9-19)17-11/h1-8,19H,9H2
InChIKeyXXJLEQVTYZMHMG-UHFFFAOYSA-N
XLogP3.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol (CID 54493409) is [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol is OCc1cccc(C=Cc2nc3cc(F)ccc3s2)n1.
What is the InChIKey of [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol?
The InChIKey is XXJLEQVTYZMHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-10-4-6-14-13(8-10)18-15(20-14)7-5-11-2-1-3-12(9-19)17-11/h1-8,19H,9H2.
What are the key properties of [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol?
[6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol has a molecular weight of 286.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 54493409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).