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

C9H10F3NO2S — CID 106784039

IUPACethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
SMILESCCOC(=O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3NO2S/c1-2-15-7(14)4-3-6-5-13-8(16-6)9(10,11)12/h5H,2-4H2,1H3
InChIKeyXLSPXGHOLHGECC-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.66
Rot. Bonds4

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

ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate (PubChem CID 106784039) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
PubChem CID106784039
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Nameethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
SMILESCCOC(=O)CCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3NO2S/c1-2-15-7(14)4-3-6-5-13-8(16-6)9(10,11)12/h5H,2-4H2,1H3
InChIKeyXLSPXGHOLHGECC-UHFFFAOYSA-N
XLogP2.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoic acid
CID 106784034
ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate
CID 58560957
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-3-ol
CID 106784203
ethyl 3-(5-methyl-1,3-thiazol-2-yl)propanoate
CID 90403348
2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 106784054
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 64579885
4-ethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784866
ethyl 4-[3-methyl-5-(trifluoromethyl)-2-pyridinyl]butanoate
CID 68841546
2-amino-2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-one
CID 106784750
N-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-2-amine
CID 106784073
ethyl 3-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanoate
CID 61372216
5-(chloromethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 15171128

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate?
The IUPAC name of ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate (CID 106784039) is ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate is CCOC(=O)CCc1cnc(C(F)(F)F)s1.
What is the InChIKey of ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate?
The InChIKey is XLSPXGHOLHGECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-15-7(14)4-3-6-5-13-8(16-6)9(10,11)12/h5H,2-4H2,1H3.
What are the key properties of ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate?
ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate has a molecular weight of 253.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 106784039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).