2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide

C8H7F3N2O2S — CID 125458802

IUPAC2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=Cc1nc(CCNC(=O)C(F)(F)F)cs1
InChIInChI=1S/C8H7F3N2O2S/c9-8(10,11)7(15)12-2-1-5-4-16-6(3-14)13-5/h3-4H,1-2H2,(H,12,15)
InChIKeyZAGBYWXWLNHNMA-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.18
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 125458802) has the molecular formula C8H7F3N2O2S and a molecular weight of 252.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID125458802
Molecular FormulaC8H7F3N2O2S
Molecular Weight252.22 g/mol
Exact Mass252.02
IUPAC Name2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=Cc1nc(CCNC(=O)C(F)(F)F)cs1
InChIInChI=1S/C8H7F3N2O2S/c9-8(10,11)7(15)12-2-1-5-4-16-6(3-14)13-5/h3-4H,1-2H2,(H,12,15)
InChIKeyZAGBYWXWLNHNMA-UHFFFAOYSA-N
XLogP1.18
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 125458802) is 2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide is O=Cc1nc(CCNC(=O)C(F)(F)F)cs1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is ZAGBYWXWLNHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S/c9-8(10,11)7(15)12-2-1-5-4-16-6(3-14)13-5/h3-4H,1-2H2,(H,12,15).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 252.22 g/mol, XLogP of 1.18, 4 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-[2-(2-formyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 125458802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).