2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide

C7H7F3N2OS — CID 118373198

IUPAC2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1cncs1)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)6(13)12-2-1-5-3-11-4-14-5/h3-4H,1-2H2,(H,12,13)
InChIKeyDPHVCQLTHZOBRT-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.36
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide (PubChem CID 118373198) has the molecular formula C7H7F3N2OS and a molecular weight of 224.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
PubChem CID118373198
Molecular FormulaC7H7F3N2OS
Molecular Weight224.21 g/mol
Exact Mass224.02
IUPAC Name2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1cncs1)C(F)(F)F
InChIInChI=1S/C7H7F3N2OS/c8-7(9,10)6(13)12-2-1-5-3-11-4-14-5/h3-4H,1-2H2,(H,12,13)
InChIKeyDPHVCQLTHZOBRT-UHFFFAOYSA-N
XLogP1.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide (CID 118373198) is 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide is O=C(NCCc1cncs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide?
The InChIKey is DPHVCQLTHZOBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2OS/c8-7(9,10)6(13)12-2-1-5-3-11-4-14-5/h3-4H,1-2H2,(H,12,13).
What are the key properties of 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide has a molecular weight of 224.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 118373198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).