2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide

C4H2F3N3OS — CID 103282566

IUPAC2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide
SMILESO=C(Nc1cnns1)C(F)(F)F
InChIInChI=1S/C4H2F3N3OS/c5-4(6,7)3(11)9-2-1-8-10-12-2/h1H,(H,9,11)
InChIKeyUXMLUSGRPWLHPQ-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.04
Rot. Bonds1

About 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide

2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide (PubChem CID 103282566) has the molecular formula C4H2F3N3OS and a molecular weight of 197.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide
PubChem CID103282566
Molecular FormulaC4H2F3N3OS
Molecular Weight197.14 g/mol
Exact Mass196.99
IUPAC Name2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide
SMILESO=C(Nc1cnns1)C(F)(F)F
InChIInChI=1S/C4H2F3N3OS/c5-4(6,7)3(11)9-2-1-8-10-12-2/h1H,(H,9,11)
InChIKeyUXMLUSGRPWLHPQ-UHFFFAOYSA-N
XLogP1.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide (CID 103282566) is 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide is O=C(Nc1cnns1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide?
The InChIKey is UXMLUSGRPWLHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N3OS/c5-4(6,7)3(11)9-2-1-8-10-12-2/h1H,(H,9,11).
What are the key properties of 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide?
2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide has a molecular weight of 197.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(thiadiazol-5-yl)acetamide is sourced from PubChem (CID 103282566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).