2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol

C15H11FN2OS — CID 139641684

IUPAC2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol
SMILESC=C(c1nc2cc(F)ccc2s1)C(O)c1ccccn1
InChIInChI=1S/C15H11FN2OS/c1-9(14(19)11-4-2-3-7-17-11)15-18-12-8-10(16)5-6-13(12)20-15/h2-8,14,19H,1H2
InChIKeyNQTCCWXZQLISGL-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.58
Rot. Bonds3

About 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol

2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol (PubChem CID 139641684) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol.

Molecular Properties

Compound Name2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol
PubChem CID139641684
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol
SMILESC=C(c1nc2cc(F)ccc2s1)C(O)c1ccccn1
InChIInChI=1S/C15H11FN2OS/c1-9(14(19)11-4-2-3-7-17-11)15-18-12-8-10(16)5-6-13(12)20-15/h2-8,14,19H,1H2
InChIKeyNQTCCWXZQLISGL-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol?
The IUPAC name of 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol (CID 139641684) is 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol.
What is the SMILES notation for 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol?
The canonical SMILES for 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol is C=C(c1nc2cc(F)ccc2s1)C(O)c1ccccn1.
What is the InChIKey of 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol?
The InChIKey is NQTCCWXZQLISGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-9(14(19)11-4-2-3-7-17-11)15-18-12-8-10(16)5-6-13(12)20-15/h2-8,14,19H,1H2.
What are the key properties of 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol?
2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol has a molecular weight of 286.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-pyridin-2-ylprop-2-en-1-ol is sourced from PubChem (CID 139641684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).