2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid

C4H3FN2O2S2 — CID 79357335

IUPAC2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)Sc1nncs1
InChIInChI=1S/C4H3FN2O2S2/c5-2(3(8)9)11-4-7-6-1-10-4/h1-2H,(H,8,9)
InChIKeyYXARGMNNJVHMCJ-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.01
Rot. Bonds3

About 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid

2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid (PubChem CID 79357335) has the molecular formula C4H3FN2O2S2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
PubChem CID79357335
Molecular FormulaC4H3FN2O2S2
Molecular Weight194.21 g/mol
Exact Mass193.96
IUPAC Name2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)Sc1nncs1
InChIInChI=1S/C4H3FN2O2S2/c5-2(3(8)9)11-4-7-6-1-10-4/h1-2H,(H,8,9)
InChIKeyYXARGMNNJVHMCJ-UHFFFAOYSA-N
XLogP1.01
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
The IUPAC name of 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid (CID 79357335) is 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid is O=C(O)C(F)Sc1nncs1.
What is the InChIKey of 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
The InChIKey is YXARGMNNJVHMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2S2/c5-2(3(8)9)11-4-7-6-1-10-4/h1-2H,(H,8,9).
What are the key properties of 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid has a molecular weight of 194.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid is sourced from PubChem (CID 79357335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).