5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid

C6H4F3NO3S — CID 67315405

IUPAC5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(C(O)C(F)(F)F)s1
InChIInChI=1S/C6H4F3NO3S/c7-6(8,9)3(11)2-1-10-4(14-2)5(12)13/h1,3,11H,(H,12,13)
InChIKeyRWTCALQTWRDOTF-UHFFFAOYSA-N
MW227.16 g/mol
LogP1.44
Rot. Bonds2

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

5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 67315405) has the molecular formula C6H4F3NO3S and a molecular weight of 227.16 g/mol. Its IUPAC name is 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID67315405
Molecular FormulaC6H4F3NO3S
Molecular Weight227.16 g/mol
Exact Mass226.99
IUPAC Name5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1ncc(C(O)C(F)(F)F)s1
InChIInChI=1S/C6H4F3NO3S/c7-6(8,9)3(11)2-1-10-4(14-2)5(12)13/h1,3,11H,(H,12,13)
InChIKeyRWTCALQTWRDOTF-UHFFFAOYSA-N
XLogP1.44
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.16
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Hydroxyethyl)-1,3-thiazole-2-carbaldehyde
CID 59331383
Potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate
CID 170915093
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]prop-2-yn-1-ol
CID 53699018
5-Thiazolemethanol, 2-methyl-alpha-(trifluoromethyl)-
CID 57620095
2-Thiazolecarboxaldehyde, 5-(2,2,2-trifluoro-1-hydroxyethyl)-
CID 59331314
2,2,2-Trifluoro-1-(thiazol-5-yl)ethanol
CID 67130512
Dilithium 5-(2,2,2-trifluoro-1-oxidoethyl)-1,3-thiazole-2-carboxylate
CID 67315404
(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
5-(2,2,2-Trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxamide
CID 69594396
Ethanone, 1-[5-(2,2,2-trifluoro-1-hydroxyethyl)-2-thiazolyl]-
CID 71294264
5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)thiazole-2-carbaldehyde
CID 86638584

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid (CID 67315405) is 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1ncc(C(O)C(F)(F)F)s1.
What is the InChIKey of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is RWTCALQTWRDOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3S/c7-6(8,9)3(11)2-1-10-4(14-2)5(12)13/h1,3,11H,(H,12,13).
What are the key properties of 5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid?
5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 227.16 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 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-carboxylic acid is sourced from PubChem (CID 67315405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).