5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid

C6H5F3N2O2S — CID 64630899

IUPAC5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCC(F)(F)F
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)1-10-4-3(5(12)13)11-2-14-4/h2,10H,1H2,(H,12,13)
InChIKeyKCROIGVAFZCYOZ-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.82
Rot. Bonds3

About 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid

5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64630899) has the molecular formula C6H5F3N2O2S and a molecular weight of 226.18 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64630899
Molecular FormulaC6H5F3N2O2S
Molecular Weight226.18 g/mol
Exact Mass226.00
IUPAC Name5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NCC(F)(F)F
InChIInChI=1S/C6H5F3N2O2S/c7-6(8,9)1-10-4-3(5(12)13)11-2-14-4/h2,10H,1H2,(H,12,13)
InChIKeyKCROIGVAFZCYOZ-UHFFFAOYSA-N
XLogP1.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid (CID 64630899) is 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KCROIGVAFZCYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2S/c7-6(8,9)1-10-4-3(5(12)13)11-2-14-4/h2,10H,1H2,(H,12,13).
What are the key properties of 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid?
5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 226.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64630899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).