2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide

C4H2BrF2N3OS — CID 127011997

IUPAC2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide
SMILESO=C(Nc1cnns1)C(F)(F)Br
InChIInChI=1S/C4H2BrF2N3OS/c5-4(6,7)3(11)9-2-1-8-10-12-2/h1H,(H,9,11)
InChIKeyZBRCQBHTOLRQEC-UHFFFAOYSA-N
MW258.05 g/mol
LogP1.46
Rot. Bonds2

About 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide

2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide (PubChem CID 127011997) has the molecular formula C4H2BrF2N3OS and a molecular weight of 258.05 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide
PubChem CID127011997
Molecular FormulaC4H2BrF2N3OS
Molecular Weight258.05 g/mol
Exact Mass256.91
IUPAC Name2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide
SMILESO=C(Nc1cnns1)C(F)(F)Br
InChIInChI=1S/C4H2BrF2N3OS/c5-4(6,7)3(11)9-2-1-8-10-12-2/h1H,(H,9,11)
InChIKeyZBRCQBHTOLRQEC-UHFFFAOYSA-N
XLogP1.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide (CID 127011997) is 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide is O=C(Nc1cnns1)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide?
The InChIKey is ZBRCQBHTOLRQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrF2N3OS/c5-4(6,7)3(11)9-2-1-8-10-12-2/h1H,(H,9,11).
What are the key properties of 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide?
2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide has a molecular weight of 258.05 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-(thiadiazol-5-yl)acetamide is sourced from PubChem (CID 127011997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).