2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide

C5H3F4N3OS — CID 106547683

IUPAC2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide
SMILESO=C(Nc1cnns1)C(F)(F)C(F)F
InChIInChI=1S/C5H3F4N3OS/c6-3(7)5(8,9)4(13)11-2-1-10-12-14-2/h1,3H,(H,11,13)
InChIKeyUCHWJGQTGHTQQO-UHFFFAOYSA-N
MW229.16 g/mol
LogP1.38
Rot. Bonds3

About 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide

2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide (PubChem CID 106547683) has the molecular formula C5H3F4N3OS and a molecular weight of 229.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide
PubChem CID106547683
Molecular FormulaC5H3F4N3OS
Molecular Weight229.16 g/mol
Exact Mass228.99
IUPAC Name2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide
SMILESO=C(Nc1cnns1)C(F)(F)C(F)F
InChIInChI=1S/C5H3F4N3OS/c6-3(7)5(8,9)4(13)11-2-1-10-12-14-2/h1,3H,(H,11,13)
InChIKeyUCHWJGQTGHTQQO-UHFFFAOYSA-N
XLogP1.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide (CID 106547683) is 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide is O=C(Nc1cnns1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide?
The InChIKey is UCHWJGQTGHTQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N3OS/c6-3(7)5(8,9)4(13)11-2-1-10-12-14-2/h1,3H,(H,11,13).
What are the key properties of 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide?
2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide has a molecular weight of 229.16 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(thiadiazol-5-yl)propanamide is sourced from PubChem (CID 106547683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).