ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate

C11H12F3NO3S — CID 106784105

IUPACethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate
SMILESCCOC(=O)CCC(=O)Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3NO3S/c1-2-18-9(17)4-3-7(16)5-8-6-15-10(19-8)11(12,13)14/h6H,2-5H2,1H3
InChIKeyBKPWUVOLLPJXNW-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.62
Rot. Bonds6

About ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate

ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate (PubChem CID 106784105) has the molecular formula C11H12F3NO3S and a molecular weight of 295.28 g/mol. Its IUPAC name is ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate.

Molecular Properties

Compound Nameethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate
PubChem CID106784105
Molecular FormulaC11H12F3NO3S
Molecular Weight295.28 g/mol
Exact Mass295.05
IUPAC Nameethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate
SMILESCCOC(=O)CCC(=O)Cc1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3NO3S/c1-2-18-9(17)4-3-7(16)5-8-6-15-10(19-8)11(12,13)14/h6H,2-5H2,1H3
InChIKeyBKPWUVOLLPJXNW-UHFFFAOYSA-N
XLogP2.62
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-Thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146912
4-(2,2-Difluoroethoxy)-1-(1,3-thiazol-5-yl)butan-2-one
CID 103147227
Ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
CID 106784039
Methyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]hexanoate
CID 106784041
Ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate
CID 106784049
4-Ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784866
4-Methoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-1-one
CID 106785031
Methyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate
CID 113876812
3-(Oxan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 113876939
3-(Oxolan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-one
CID 113876943
Ethyl 2,2-difluoro-3-(1,3-thiazol-5-yl)propanoate
CID 165955749
Ethyl 2-propyl-5-thiazole-pentanoate
CID 20369849

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate?
The IUPAC name of ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate (CID 106784105) is ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate.
What is the SMILES notation for ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate?
The canonical SMILES for ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate is CCOC(=O)CCC(=O)Cc1cnc(C(F)(F)F)s1.
What is the InChIKey of ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate?
The InChIKey is BKPWUVOLLPJXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3S/c1-2-18-9(17)4-3-7(16)5-8-6-15-10(19-8)11(12,13)14/h6H,2-5H2,1H3.
What are the key properties of ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate?
ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate has a molecular weight of 295.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate is sourced from PubChem (CID 106784105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).