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

C15H11FN2OS — CID 19019494

IUPAC[6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol
SMILESC=C(c1cccc(CO)n1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C15H11FN2OS/c1-9(12-4-2-3-11(8-19)17-12)15-18-13-7-10(16)5-6-14(13)20-15/h2-7,19H,1,8H2
InChIKeyIZVVPVJLSZWGAP-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.38
Rot. Bonds3

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

[6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol (PubChem CID 19019494) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is [6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol
PubChem CID19019494
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name[6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol
SMILESC=C(c1cccc(CO)n1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C15H11FN2OS/c1-9(12-4-2-3-11(8-19)17-12)15-18-13-7-10(16)5-6-14(13)20-15/h2-7,19H,1,8H2
InChIKeyIZVVPVJLSZWGAP-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol?
The IUPAC name of [6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol (CID 19019494) is [6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol is C=C(c1cccc(CO)n1)c1nc2cc(F)ccc2s1.
What is the InChIKey of [6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol?
The InChIKey is IZVVPVJLSZWGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-9(12-4-2-3-11(8-19)17-12)15-18-13-7-10(16)5-6-14(13)20-15/h2-7,19H,1,8H2.
What are the key properties of [6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol?
[6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol has a molecular weight of 286.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 19019494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).