2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide

C5H4F3N3OS — CID 20719774

IUPAC2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3OS/c1-2-9-4(13-11-2)10-3(12)5(6,7)8/h1H3,(H,9,10,11,12)
InChIKeyPKWSOVPRMZUGFL-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.35
Rot. Bonds1

About 2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide

2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 20719774) has the molecular formula C5H4F3N3OS and a molecular weight of 211.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID20719774
Molecular FormulaC5H4F3N3OS
Molecular Weight211.17 g/mol
Exact Mass211.00
IUPAC Name2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3OS/c1-2-9-4(13-11-2)10-3(12)5(6,7)8/h1H3,(H,9,10,11,12)
InChIKeyPKWSOVPRMZUGFL-UHFFFAOYSA-N
XLogP1.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.35
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-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide (CID 20719774) is 2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is Cc1nsc(NC(=O)C(F)(F)F)n1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is PKWSOVPRMZUGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3OS/c1-2-9-4(13-11-2)10-3(12)5(6,7)8/h1H3,(H,9,10,11,12).
What are the key properties of 2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide?
2,2,2-trifluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 211.17 g/mol, XLogP of 1.35, 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-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 20719774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).