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

C9H8F3NO2S — CID 170159932

IUPACethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESC=Cc1sc(C(F)(F)F)nc1C(=O)OCC
InChIInChI=1S/C9H8F3NO2S/c1-3-5-6(7(14)15-4-2)13-8(16-5)9(10,11)12/h3H,1,4H2,2H3
InChIKeyLHCXFGWENNBAIZ-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.98
Rot. Bonds3

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

ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 170159932) has the molecular formula C9H8F3NO2S and a molecular weight of 251.23 g/mol. Its IUPAC name is ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID170159932
Molecular FormulaC9H8F3NO2S
Molecular Weight251.23 g/mol
Exact Mass251.02
IUPAC Nameethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESC=Cc1sc(C(F)(F)F)nc1C(=O)OCC
InChIInChI=1S/C9H8F3NO2S/c1-3-5-6(7(14)15-4-2)13-8(16-5)9(10,11)12/h3H,1,4H2,2H3
InChIKeyLHCXFGWENNBAIZ-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-vinylthiazole-4-carboxylate
CID 91753411
Ethyl 2-chloro-5-(trifluoromethyl)thiazole-4-carboxylate
CID 122508431
Diethyl 2-(trifluoromethyl)-1,3-thiazole-4,5-dicarboxylate
CID 125504471
5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 126482540
Ethyl 2-(2-iodoethyl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 129066937
Ethyl 2-propyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 129066940
ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 134461635
Ethyl 5-(3-methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 135324032
Ethyl 2-ethyl-5-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 145143142
5-Ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 168242018
5-(3-Methoxyprop-1-enyl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
CID 173665335
methyl 2-(1,1-difluoroethyl)-4-[(E)-2-ethoxyethenyl]-1,3-thiazole-5-carboxylate
CID 178631935

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 170159932) is ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is C=Cc1sc(C(F)(F)F)nc1C(=O)OCC.
What is the InChIKey of ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is LHCXFGWENNBAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S/c1-3-5-6(7(14)15-4-2)13-8(16-5)9(10,11)12/h3H,1,4H2,2H3.
What are the key properties of ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 251.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethenyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 170159932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).