5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde

C7H6F3NO2S — CID 129253744

IUPAC5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)sc1CCO
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)6-11-4(3-13)5(14-6)1-2-12/h3,12H,1-2H2
InChIKeyJDCNAKZWTWULIK-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.51
Rot. Bonds3

About 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde

5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 129253744) has the molecular formula C7H6F3NO2S and a molecular weight of 225.19 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
PubChem CID129253744
Molecular FormulaC7H6F3NO2S
Molecular Weight225.19 g/mol
Exact Mass225.01
IUPAC Name5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1nc(C(F)(F)F)sc1CCO
InChIInChI=1S/C7H6F3NO2S/c8-7(9,10)6-11-4(3-13)5(14-6)1-2-12/h3,12H,1-2H2
InChIKeyJDCNAKZWTWULIK-UHFFFAOYSA-N
XLogP1.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.51
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-Ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde
CID 130296350
2-(Trifluoromethyl)-5-{2-[(triisopropylsilyl)oxy]ethyl}-1,3-thiazole-4-carbaldehyde
CID 131745395
2,2,2-Trifluoro-1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethan-1-one
CID 165520588
2,2-Difluoro-1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethan-1-one
CID 165520589
4-(2-Hydroxyethyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 129253671

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde (CID 129253744) is 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde is O=Cc1nc(C(F)(F)F)sc1CCO.
What is the InChIKey of 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is JDCNAKZWTWULIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S/c8-7(9,10)6-11-4(3-13)5(14-6)1-2-12/h3,12H,1-2H2.
What are the key properties of 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde?
5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 225.19 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-(trifluoromethyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 129253744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).