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

C8H9F3N2OS — CID 104583148

IUPAC2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCC(CNC(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C8H9F3N2OS/c1-5(6-12-2-3-15-6)4-13-7(14)8(9,10)11/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyVZICMDIOQWAJFR-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.93
Rot. Bonds3

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

2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 104583148) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
PubChem CID104583148
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
SMILESCC(CNC(=O)C(F)(F)F)c1nccs1
InChIInChI=1S/C8H9F3N2OS/c1-5(6-12-2-3-15-6)4-13-7(14)8(9,10)11/h2-3,5H,4H2,1H3,(H,13,14)
InChIKeyVZICMDIOQWAJFR-UHFFFAOYSA-N
XLogP1.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 114129313
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
3,3-dimethyl-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 104576296
(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
CID 114127505
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428973
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 114127126
6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 104579250
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583096
4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 114127534
3-hydroxy-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583150

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide (CID 104583148) is 2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide is CC(CNC(=O)C(F)(F)F)c1nccs1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is VZICMDIOQWAJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c1-5(6-12-2-3-15-6)4-13-7(14)8(9,10)11/h2-3,5H,4H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide?
2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 238.23 g/mol, XLogP of 1.93, 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-2-yl)propyl]acetamide is sourced from PubChem (CID 104583148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).