1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone

C7H6F3NO2S — CID 71294264

IUPAC1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1ncc(C(O)C(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c1-3(12)6-11-2-4(14-6)5(13)7(8,9)10/h2,5,13H,1H3
InChIKeySNWGCDIIHMQWST-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.94
Rot. Bonds2

About 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone

1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone (PubChem CID 71294264) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone
PubChem CID71294264
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1ncc(C(O)C(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S/c1-3(12)6-11-2-4(14-6)5(13)7(8,9)10/h2,5,13H,1H3
InChIKeySNWGCDIIHMQWST-UHFFFAOYSA-N
XLogP1.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Hydroxyethyl)-1,3-thiazole-2-carbaldehyde
CID 59331383
(1R)-1-(1,3-thiazol-5-yl)ethan-1-ol
CID 54594041
[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]methanol
CID 155943682
(1R)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165633553
(1S)-1-(2-chloro-1,3-thiazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 165639952
1-(2-Chloro-thiazol-5-yl)-ethanol
CID 68056647
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]prop-2-yn-1-ol
CID 53699018
5-Thiazolemethanol, 2-methyl-alpha-(trifluoromethyl)-
CID 57620095
1-(5-Ethyl-1,3-thiazol-2-yl)-2,2,2-trifluoroethanone
CID 59059063
2-Thiazolecarboxaldehyde, 5-(2,2,2-trifluoro-1-hydroxyethyl)-
CID 59331314
1-(2-Bromothiazol-5-yl)-2,2,2-trifluoroethanol
CID 59466567
2,2,2-Trifluoro-1-(thiazol-5-yl)ethanol
CID 67130512

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone (CID 71294264) is 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone is CC(=O)c1ncc(C(O)C(F)(F)F)s1.
What is the InChIKey of 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone?
The InChIKey is SNWGCDIIHMQWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c1-3(12)6-11-2-4(14-6)5(13)7(8,9)10/h2,5,13H,1H3.
What are the key properties of 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone?
1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone has a molecular weight of 225.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 71294264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).