ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

C7H7F3N2O2S — CID 135372537

IUPACethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1N
InChIInChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(11)15-6(12-3)7(8,9)10/h2,11H2,1H3
InChIKeyGSXVPSHHXHNCAD-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.92
Rot. Bonds2

About ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 135372537) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID135372537
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Nameethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1N
InChIInChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(11)15-6(12-3)7(8,9)10/h2,11H2,1H3
InChIKeyGSXVPSHHXHNCAD-UHFFFAOYSA-N
XLogP1.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 135372537) is ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(F)(F)F)sc1N.
What is the InChIKey of ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is GSXVPSHHXHNCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(11)15-6(12-3)7(8,9)10/h2,11H2,1H3.
What are the key properties of ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 240.21 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 135372537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).