2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid

C6H6FNO3S — CID 81297738

IUPAC2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid
SMILESCc1csc(=O)n1C(F)C(=O)O
InChIInChI=1S/C6H6FNO3S/c1-3-2-12-6(11)8(3)4(7)5(9)10/h2,4H,1H3,(H,9,10)
InChIKeyPFPDUJYUPPFWIO-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.77
Rot. Bonds2

About 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid

2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid (PubChem CID 81297738) has the molecular formula C6H6FNO3S and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid
PubChem CID81297738
Molecular FormulaC6H6FNO3S
Molecular Weight191.18 g/mol
Exact Mass191.01
IUPAC Name2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid
SMILESCc1csc(=O)n1C(F)C(=O)O
InChIInChI=1S/C6H6FNO3S/c1-3-2-12-6(11)8(3)4(7)5(9)10/h2,4H,1H3,(H,9,10)
InChIKeyPFPDUJYUPPFWIO-UHFFFAOYSA-N
XLogP0.77
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid (CID 81297738) is 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid is Cc1csc(=O)n1C(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid?
The InChIKey is PFPDUJYUPPFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FNO3S/c1-3-2-12-6(11)8(3)4(7)5(9)10/h2,4H,1H3,(H,9,10).
What are the key properties of 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid?
2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid has a molecular weight of 191.18 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetic acid is sourced from PubChem (CID 81297738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).