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

C11H14F3NO2S — CID 106784049

IUPACethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate
SMILESCCCC(C(=O)OCC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-3-5-7(9(16)17-4-2)8-6-15-10(18-8)11(12,13)14/h6-7H,3-5H2,1-2H3
InChIKeyKLHVQRLMHCLFDT-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.61
Rot. Bonds5

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

ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate (PubChem CID 106784049) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate
PubChem CID106784049
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC Nameethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate
SMILESCCCC(C(=O)OCC)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H14F3NO2S/c1-3-5-7(9(16)17-4-2)8-6-15-10(18-8)11(12,13)14/h6-7H,3-5H2,1-2H3
InChIKeyKLHVQRLMHCLFDT-UHFFFAOYSA-N
XLogP3.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoate
CID 165405059
Methyl 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate
CID 169171775
Ethyl 2-(2-amino-1,3-thiazol-5-yl)-4,4,4-trifluorobutanoate
CID 172594699
Methyl [2-(trifluoromethyl)-1,3-thiazol-5-YL]acetate
CID 72214631
2-[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]propanoic acid
CID 84787783
3-[2-(Difluoromethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
CID 84787786
3-[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]-2-methylpropanoic acid
CID 84797310
Ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 103818931
Diethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanedioate
CID 106784028
Ethyl 2-fluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 106784029
Ethyl 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butanoate
CID 106784030
Ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
CID 106784031

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate?
The IUPAC name of ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate (CID 106784049) is ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate.
What is the SMILES notation for ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate?
The canonical SMILES for ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate is CCCC(C(=O)OCC)c1cnc(C(F)(F)F)s1.
What is the InChIKey of ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate?
The InChIKey is KLHVQRLMHCLFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-3-5-7(9(16)17-4-2)8-6-15-10(18-8)11(12,13)14/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate?
ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate has a molecular weight of 281.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentanoate is sourced from PubChem (CID 106784049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).