2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid

C11H8FNO4S — CID 54476768

IUPAC2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid
SMILESO=C(O)c1cc(Cc2sc(=O)[nH]c2O)ccc1F
InChIInChI=1S/C11H8FNO4S/c12-7-2-1-5(3-6(7)10(15)16)4-8-9(14)13-11(17)18-8/h1-3,14H,4H2,(H,13,17)(H,15,16)
InChIKeyXMDBBGXRQJYRBY-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.57
Rot. Bonds3

About 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid

2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid (PubChem CID 54476768) has the molecular formula C11H8FNO4S and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid
PubChem CID54476768
Molecular FormulaC11H8FNO4S
Molecular Weight269.25 g/mol
Exact Mass269.02
IUPAC Name2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid
SMILESO=C(O)c1cc(Cc2sc(=O)[nH]c2O)ccc1F
InChIInChI=1S/C11H8FNO4S/c12-7-2-1-5(3-6(7)10(15)16)4-8-9(14)13-11(17)18-8/h1-3,14H,4H2,(H,13,17)(H,15,16)
InChIKeyXMDBBGXRQJYRBY-UHFFFAOYSA-N
XLogP1.57
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid (CID 54476768) is 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid is O=C(O)c1cc(Cc2sc(=O)[nH]c2O)ccc1F.
What is the InChIKey of 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid?
The InChIKey is XMDBBGXRQJYRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4S/c12-7-2-1-5(3-6(7)10(15)16)4-8-9(14)13-11(17)18-8/h1-3,14H,4H2,(H,13,17)(H,15,16).
What are the key properties of 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid?
2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid has a molecular weight of 269.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]benzoic acid is sourced from PubChem (CID 54476768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).