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

C4H2F2N2O2S2 — CID 81217359

IUPAC2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)(F)Sc1nncs1
InChIInChI=1S/C4H2F2N2O2S2/c5-4(6,2(9)10)12-3-8-7-1-11-3/h1H,(H,9,10)
InChIKeyVYYYHMOGFQHGES-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.31
Rot. Bonds3

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

2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid (PubChem CID 81217359) has the molecular formula C4H2F2N2O2S2 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
PubChem CID81217359
Molecular FormulaC4H2F2N2O2S2
Molecular Weight212.20 g/mol
Exact Mass211.95
IUPAC Name2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid
SMILESO=C(O)C(F)(F)Sc1nncs1
InChIInChI=1S/C4H2F2N2O2S2/c5-4(6,2(9)10)12-3-8-7-1-11-3/h1H,(H,9,10)
InChIKeyVYYYHMOGFQHGES-UHFFFAOYSA-N
XLogP1.31
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid (CID 81217359) is 2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid is O=C(O)C(F)(F)Sc1nncs1.
What is the InChIKey of 2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
The InChIKey is VYYYHMOGFQHGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2N2O2S2/c5-4(6,2(9)10)12-3-8-7-1-11-3/h1H,(H,9,10).
What are the key properties of 2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid?
2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid has a molecular weight of 212.20 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetic acid is sourced from PubChem (CID 81217359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).