ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate

C9H10F3NO2S — CID 66751810

IUPACethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate
SMILESCCOC(=O)C(C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H10F3NO2S/c1-3-15-8(14)5(2)7-13-6(4-16-7)9(10,11)12/h4-5H,3H2,1-2H3
InChIKeyPIUYPWKZLNROST-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.83
Rot. Bonds3

About ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate

ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate (PubChem CID 66751810) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate
PubChem CID66751810
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Nameethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate
SMILESCCOC(=O)C(C)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H10F3NO2S/c1-3-15-8(14)5(2)7-13-6(4-16-7)9(10,11)12/h4-5H,3H2,1-2H3
InChIKeyPIUYPWKZLNROST-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 574575
Methyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 7130900
Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 43535917
Tert-butyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 45792271
Sodium 2-(4-methyl-1,3-thiazol-2-yl)propanoate
CID 119031038
Methyl 2-(4-tert-butyl-1,3-thiazol-2-yl)acetate
CID 47002683
Sodium 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 50987248
Potassium 2-fluoro-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 75480791
Ethyl 2-oxo-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 165914396
Ethyl 2-[4-(fluoromethyl)-1,3-thiazol-2-yl]acetate
CID 67486404
2-(4-Methyl-1,3-thiazol-2-yl)propanoic acid
CID 82598399
2-[4-(Difluoromethyl)-1,3-thiazol-2-yl]acetic acid
CID 84772560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate?
The IUPAC name of ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate (CID 66751810) is ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate.
What is the SMILES notation for ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate?
The canonical SMILES for ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate is CCOC(=O)C(C)c1nc(C(F)(F)F)cs1.
What is the InChIKey of ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate?
The InChIKey is PIUYPWKZLNROST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-3-15-8(14)5(2)7-13-6(4-16-7)9(10,11)12/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate?
ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate has a molecular weight of 253.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanoate is sourced from PubChem (CID 66751810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).