5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide

C16H11FN2O2S — CID 8964959

IUPAC5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2csc(-c3cccc(F)c3)n2)ccc1O
InChIInChI=1S/C16H11FN2O2S/c17-11-3-1-2-10(6-11)16-19-13(8-22-16)9-4-5-14(20)12(7-9)15(18)21/h1-8,20H,(H2,18,21)
InChIKeyOBOFFYQRFMPJJU-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.42
Rot. Bonds3

About 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 8964959) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID8964959
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2csc(-c3cccc(F)c3)n2)ccc1O
InChIInChI=1S/C16H11FN2O2S/c17-11-3-1-2-10(6-11)16-19-13(8-22-16)9-4-5-14(20)12(7-9)15(18)21/h1-8,20H,(H2,18,21)
InChIKeyOBOFFYQRFMPJJU-UHFFFAOYSA-N
XLogP3.42
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 8964959) is 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide is NC(=O)c1cc(-c2csc(-c3cccc(F)c3)n2)ccc1O.
What is the InChIKey of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is OBOFFYQRFMPJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-11-3-1-2-10(6-11)16-19-13(8-22-16)9-4-5-14(20)12(7-9)15(18)21/h1-8,20H,(H2,18,21).
What are the key properties of 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 314.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 8964959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).