2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid

C5H3F2NO2S — CID 130797468

IUPAC2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid
SMILESO=C(O)C(F)(F)c1ccns1
InChIInChI=1S/C5H3F2NO2S/c6-5(7,4(9)10)3-1-2-8-11-3/h1-2H,(H,9,10)
InChIKeyGMMYYPBASIPXHQ-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.32
Rot. Bonds2

About 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid

2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid (PubChem CID 130797468) has the molecular formula C5H3F2NO2S and a molecular weight of 179.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid
PubChem CID130797468
Molecular FormulaC5H3F2NO2S
Molecular Weight179.15 g/mol
Exact Mass178.99
IUPAC Name2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid
SMILESO=C(O)C(F)(F)c1ccns1
InChIInChI=1S/C5H3F2NO2S/c6-5(7,4(9)10)3-1-2-8-11-3/h1-2H,(H,9,10)
InChIKeyGMMYYPBASIPXHQ-UHFFFAOYSA-N
XLogP1.32
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid (CID 130797468) is 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid is O=C(O)C(F)(F)c1ccns1.
What is the InChIKey of 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid?
The InChIKey is GMMYYPBASIPXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F2NO2S/c6-5(7,4(9)10)3-1-2-8-11-3/h1-2H,(H,9,10).
What are the key properties of 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid?
2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid has a molecular weight of 179.15 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 130797468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).