2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide

C6H6F3N3OS — CID 130871021

IUPAC2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1csnn1
InChIInChI=1S/C6H6F3N3OS/c1-3(4-2-14-12-11-4)10-5(13)6(7,8)9/h2-3H,1H3,(H,10,13)
InChIKeyGMRZJZHONNPEOK-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.28
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide

2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide (PubChem CID 130871021) has the molecular formula C6H6F3N3OS and a molecular weight of 225.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide
PubChem CID130871021
Molecular FormulaC6H6F3N3OS
Molecular Weight225.19 g/mol
Exact Mass225.02
IUPAC Name2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)C(F)(F)F)c1csnn1
InChIInChI=1S/C6H6F3N3OS/c1-3(4-2-14-12-11-4)10-5(13)6(7,8)9/h2-3H,1H3,(H,10,13)
InChIKeyGMRZJZHONNPEOK-UHFFFAOYSA-N
XLogP1.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.28
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-[1-(thiadiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide (CID 130871021) is 2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide is CC(NC(=O)C(F)(F)F)c1csnn1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide?
The InChIKey is GMRZJZHONNPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3OS/c1-3(4-2-14-12-11-4)10-5(13)6(7,8)9/h2-3H,1H3,(H,10,13).
What are the key properties of 2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[1-(thiadiazol-4-yl)ethyl]acetamide has a molecular weight of 225.19 g/mol, XLogP of 1.28, 2 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-[1-(thiadiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 130871021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).