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

C7H7F3N2O2S — CID 119056833

IUPACethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)15-6(11)12-3/h2H2,1H3,(H2,11,12)
InChIKeyQHEFEANTTIMHSI-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.92
Rot. Bonds2

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

ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 119056833) has the molecular formula C7H7F3N2O2S and a molecular weight of 240.21 g/mol. Its IUPAC name is ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID119056833
Molecular FormulaC7H7F3N2O2S
Molecular Weight240.21 g/mol
Exact Mass240.02
IUPAC Nameethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)sc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)15-6(11)12-3/h2H2,1H3,(H2,11,12)
InChIKeyQHEFEANTTIMHSI-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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Related Compounds

5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
CID 67656
Diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 226556
Ethyl 2-amino-4-methylthiazole-5-carboxylate
CID 343747
Methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 1132801
Ethyl 2-amino-5-methylthiazole-4-carboxylate
CID 766578
Methyl 2-amino-4-(methoxymethyl)thiazole-5-carboxylate
CID 25220423
Ethyl 2-(2-acetylhydrazino)-5-methyl-1,3-thiazole-4-carboxylate
CID 935571
2-amino-5-methyl-1,3-thiazole-4-carboxylic Acid
CID 1512698
2-Amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 28875570
Ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate hydrobromide
CID 118010575
Methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate hydrobromide
CID 145867464
Ethyl 2-guanidino-5-methyl-1,3-thiazole-4-carboxylate
CID 23545949

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 119056833) is ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N)sc1C(F)(F)F.
What is the InChIKey of ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QHEFEANTTIMHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)15-6(11)12-3/h2H2,1H3,(H2,11,12).
What are the key properties of ethyl 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 2-amino-5-(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 2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 119056833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).