2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide

C10H9F3N4OS — CID 126816904

IUPAC2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide
SMILESO=C(NCc1cn(Cc2cccs2)nn1)C(F)(F)F
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)9(18)14-4-7-5-17(16-15-7)6-8-2-1-3-19-8/h1-3,5H,4,6H2,(H,14,18)
InChIKeyUGQCLTDRNRVBJX-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.57
Rot. Bonds4

About 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide (PubChem CID 126816904) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide
PubChem CID126816904
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC Name2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide
SMILESO=C(NCc1cn(Cc2cccs2)nn1)C(F)(F)F
InChIInChI=1S/C10H9F3N4OS/c11-10(12,13)9(18)14-4-7-5-17(16-15-7)6-8-2-1-3-19-8/h1-3,5H,4,6H2,(H,14,18)
InChIKeyUGQCLTDRNRVBJX-UHFFFAOYSA-N
XLogP1.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide (CID 126816904) is 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide is O=C(NCc1cn(Cc2cccs2)nn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide?
The InChIKey is UGQCLTDRNRVBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c11-10(12,13)9(18)14-4-7-5-17(16-15-7)6-8-2-1-3-19-8/h1-3,5H,4,6H2,(H,14,18).
What are the key properties of 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide has a molecular weight of 290.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 126816904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).