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

C10H12F3NO2S — CID 106784031

IUPACethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-4-16-8(15)9(2,3)6-5-14-7(17-6)10(11,12)13/h5H,4H2,1-3H3
InChIKeyZPBTZTOLVWQION-UHFFFAOYSA-N
MW267.27 g/mol
LogP3.00
Rot. Bonds3

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

ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate (PubChem CID 106784031) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
PubChem CID106784031
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Nameethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate
SMILESCCOC(=O)C(C)(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H12F3NO2S/c1-4-16-8(15)9(2,3)6-5-14-7(17-6)10(11,12)13/h5H,4H2,1-3H3
InChIKeyZPBTZTOLVWQION-UHFFFAOYSA-N
XLogP3.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(1,3-thiazol-5-yl)acetate
CID 28811855
Ethyl 2-(2-bromo-1,3-thiazol-5-yl)acetate
CID 54136618
2-Methyl-2-(1,3-thiazol-5-yl)propanoic acid
CID 165490479
Ethyl 2-oxo-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetate
CID 155978068
Ethyl 2-(2-chloro-1,3-thiazol-5-yl)-2,2-difluoroacetate
CID 170912876
Ethyl 2-(thiazol-5-yl)acetate
CID 20358489
Ethyl (2-propyl-1,3-thiazol-5-yl)acetate
CID 54320013
Ethyl [2-(methylsulfanyl)-1,3-thiazol-5-yl]acetate
CID 71426524
2,2-Difluoro-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]acetic acid
CID 106784032
Ethyl 2,2-difluoro-2-(1,3-thiazol-5-yl)acetate
CID 140207168
Methyl 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate
CID 169171775
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylic acid
CID 169171841

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate (CID 106784031) is ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate is CCOC(=O)C(C)(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate?
The InChIKey is ZPBTZTOLVWQION-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-4-16-8(15)9(2,3)6-5-14-7(17-6)10(11,12)13/h5H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate?
ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate has a molecular weight of 267.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 106784031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).