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

C8H7F5N2O2S — CID 86045398

IUPACethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F5N2O2S/c1-2-17-5(16)3-4(15-6(14)18-3)7(9,10)8(11,12)13/h2H2,1H3,(H2,14,15)
InChIKeyLFFNZGQMASELFU-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.56
Rot. Bonds3

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

ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate (PubChem CID 86045398) has the molecular formula C8H7F5N2O2S and a molecular weight of 290.21 g/mol. Its IUPAC name is ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate
PubChem CID86045398
Molecular FormulaC8H7F5N2O2S
Molecular Weight290.21 g/mol
Exact Mass290.01
IUPAC Nameethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1C(F)(F)C(F)(F)F
InChIInChI=1S/C8H7F5N2O2S/c1-2-17-5(16)3-4(15-6(14)18-3)7(9,10)8(11,12)13/h2H2,1H3,(H2,14,15)
InChIKeyLFFNZGQMASELFU-UHFFFAOYSA-N
XLogP2.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester
CID 67656
Ethyl 2-amino-4-methylthiazole-5-carboxylate
CID 343747
Ethyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 824436
Ethyl 2-amino-4-propyl-1,3-thiazole-5-carboxylate
CID 824437
Ethyl 2-amino-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 824452
Methyl 2-amino-4-(tert-butyl)thiazole-5-carboxylate
CID 1488168
Ethyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 12801682
Methyl 2-amino-4-ethyl-1,3-thiazole-5-carboxylate
CID 735005
Methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
CID 32639824
Methyl 2-amino-4-(propan-2-yl)-1,3-thiazole-5-carboxylate
CID 45089529
Ethyl 2-(methylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 53396430
Methyl 2-amino-4-(2-methoxy-2-oxoethyl)thiazole-5-carboxylate hydrochloride
CID 43819153

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate (CID 86045398) is ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is LFFNZGQMASELFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2O2S/c1-2-17-5(16)3-4(15-6(14)18-3)7(9,10)8(11,12)13/h2H2,1H3,(H2,14,15).
What are the key properties of ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 290.21 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86045398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).