3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde

C16H10FNO2S — CID 155143296

IUPAC3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde
SMILESO=Cc1cc(-c2cnc(-c3ccccc3)s2)cc(F)c1O
InChIInChI=1S/C16H10FNO2S/c17-13-7-11(6-12(9-19)15(13)20)14-8-18-16(21-14)10-4-2-1-3-5-10/h1-9,20H
InChIKeyLVLREISJDOUJIK-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.13
Rot. Bonds3

About 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde

3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde (PubChem CID 155143296) has the molecular formula C16H10FNO2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde
PubChem CID155143296
Molecular FormulaC16H10FNO2S
Molecular Weight299.33 g/mol
Exact Mass299.04
IUPAC Name3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde
SMILESO=Cc1cc(-c2cnc(-c3ccccc3)s2)cc(F)c1O
InChIInChI=1S/C16H10FNO2S/c17-13-7-11(6-12(9-19)15(13)20)14-8-18-16(21-14)10-4-2-1-3-5-10/h1-9,20H
InChIKeyLVLREISJDOUJIK-UHFFFAOYSA-N
XLogP4.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde?
The IUPAC name of 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde (CID 155143296) is 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde?
The canonical SMILES for 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde is O=Cc1cc(-c2cnc(-c3ccccc3)s2)cc(F)c1O.
What is the InChIKey of 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde?
The InChIKey is LVLREISJDOUJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO2S/c17-13-7-11(6-12(9-19)15(13)20)14-8-18-16(21-14)10-4-2-1-3-5-10/h1-9,20H.
What are the key properties of 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde?
3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde has a molecular weight of 299.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydroxy-5-(2-phenyl-1,3-thiazol-5-yl)benzaldehyde is sourced from PubChem (CID 155143296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).