5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde

C6H4F3NO2S — CID 59331314

IUPAC5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(C(O)C(F)(F)F)s1
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)5(12)3-1-10-4(2-11)13-3/h1-2,5,12H
InChIKeyCDJLQEMOJMEUMC-UHFFFAOYSA-N
MW211.16 g/mol
LogP1.55
Rot. Bonds2

About 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde

5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde (PubChem CID 59331314) has the molecular formula C6H4F3NO2S and a molecular weight of 211.16 g/mol. Its IUPAC name is 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde
PubChem CID59331314
Molecular FormulaC6H4F3NO2S
Molecular Weight211.16 g/mol
Exact Mass210.99
IUPAC Name5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1ncc(C(O)C(F)(F)F)s1
InChIInChI=1S/C6H4F3NO2S/c7-6(8,9)5(12)3-1-10-4(2-11)13-3/h1-2,5,12H
InChIKeyCDJLQEMOJMEUMC-UHFFFAOYSA-N
XLogP1.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Hydroxyethyl)-1,3-thiazole-2-carbaldehyde
CID 59331383
5-(Hydroxymethyl)thiazole-2-carbaldehyde
CID 126719503
(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-(Trifluoromethyl)-1,3-thiazol-5-yl]prop-2-yn-1-ol
CID 53699018
5-Thiazolemethanol, 2-methyl-alpha-(trifluoromethyl)-
CID 57620095
1-(2-Bromothiazol-5-yl)-2,2,2-trifluoroethanol
CID 59466567
2,2,2-Trifluoro-1-(thiazol-5-yl)ethanol
CID 67130512
5-(2,2,2-Trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
CID 67315405
5-Thiazolemethanol, 2-chloro-alpha-(trifluoromethyl)-
CID 67401954
(1R)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-ol
CID 67402219
(1S)-2,2,2-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)ethan-1-ol
CID 67402757

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde (CID 59331314) is 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde is O=Cc1ncc(C(O)C(F)(F)F)s1.
What is the InChIKey of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is CDJLQEMOJMEUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2S/c7-6(8,9)5(12)3-1-10-4(2-11)13-3/h1-2,5,12H.
What are the key properties of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde?
5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 211.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 59331314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).