2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid

C7H8FNO3S — CID 79366067

IUPAC2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
SMILESCC(O)(c1nccs1)C(F)C(=O)O
InChIInChI=1S/C7H8FNO3S/c1-7(12,4(8)5(10)11)6-9-2-3-13-6/h2-4,12H,1H3,(H,10,11)
InChIKeyNRTHAIKDBMYSJE-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.77
Rot. Bonds3

About 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid

2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid (PubChem CID 79366067) has the molecular formula C7H8FNO3S and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
PubChem CID79366067
Molecular FormulaC7H8FNO3S
Molecular Weight205.21 g/mol
Exact Mass205.02
IUPAC Name2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
SMILESCC(O)(c1nccs1)C(F)C(=O)O
InChIInChI=1S/C7H8FNO3S/c1-7(12,4(8)5(10)11)6-9-2-3-13-6/h2-4,12H,1H3,(H,10,11)
InChIKeyNRTHAIKDBMYSJE-UHFFFAOYSA-N
XLogP0.77
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid (CID 79366067) is 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid is CC(O)(c1nccs1)C(F)C(=O)O.
What is the InChIKey of 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid?
The InChIKey is NRTHAIKDBMYSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S/c1-7(12,4(8)5(10)11)6-9-2-3-13-6/h2-4,12H,1H3,(H,10,11).
What are the key properties of 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid?
2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid has a molecular weight of 205.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid is sourced from PubChem (CID 79366067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).