N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide

C9H11F3N2OS — CID 164898284

IUPACN-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1ccc(N)s1)C(=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c1-14(8(15)9(10,11)12)5-4-6-2-3-7(13)16-6/h2-3H,4-5,13H2,1H3
InChIKeyQWPIZGJFDRUYLZ-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.89
Rot. Bonds3

About N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide

N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 164898284) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID164898284
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC NameN-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCN(CCc1ccc(N)s1)C(=O)C(F)(F)F
InChIInChI=1S/C9H11F3N2OS/c1-14(8(15)9(10,11)12)5-4-6-2-3-7(13)16-6/h2-3H,4-5,13H2,1H3
InChIKeyQWPIZGJFDRUYLZ-UHFFFAOYSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide (CID 164898284) is N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide is CN(CCc1ccc(N)s1)C(=O)C(F)(F)F.
What is the InChIKey of N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is QWPIZGJFDRUYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-14(8(15)9(10,11)12)5-4-6-2-3-7(13)16-6/h2-3H,4-5,13H2,1H3.
What are the key properties of N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide?
N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 252.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-aminothiophen-2-yl)ethyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 164898284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).