ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

C11H12F3NO3S — CID 134461635

IUPACethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1/C=C/COC
InChIInChI=1S/C11H12F3NO3S/c1-3-18-9(16)8-7(5-4-6-17-2)19-10(15-8)11(12,13)14/h4-5H,3,6H2,1-2H3/b5-4+
InChIKeyZMUDKRATAXRMBJ-SNAWJCMRSA-N
MW295.28 g/mol
LogP3.00
Rot. Bonds5

About ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 134461635) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID134461635
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Nameethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1/C=C/COC
InChIInChI=1S/C11H12F3NO3S/c1-3-18-9(16)8-7(5-4-6-17-2)19-10(15-8)11(12,13)14/h4-5H,3,6H2,1-2H3/b5-4+
InChIKeyZMUDKRATAXRMBJ-SNAWJCMRSA-N
XLogP3.00
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 134461635) is ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(F)(F)F)sc1/C=C/COC.
What is the InChIKey of ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ZMUDKRATAXRMBJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-3-18-9(16)8-7(5-4-6-17-2)19-10(15-8)11(12,13)14/h4-5H,3,6H2,1-2H3/b5-4+.
What are the key properties of ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 295.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-3-methoxyprop-1-enyl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 134461635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).