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

C10H12F3NO2S — CID 69080375

IUPACethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)C(C)Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3NO2S/c1-3-16-8(15)6(2)4-7-5-17-9(14-7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyPFZAMCAHZWNHAN-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.90
Rot. Bonds4

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

ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 69080375) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate
PubChem CID69080375
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Nameethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)C(C)Cc1csc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3NO2S/c1-3-16-8(15)6(2)4-7-5-17-9(14-7)10(11,12)13/h5-6H,3-4H2,1-2H3
InChIKeyPFZAMCAHZWNHAN-UHFFFAOYSA-N
XLogP2.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate (CID 69080375) is ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)C(C)Cc1csc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is PFZAMCAHZWNHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c1-3-16-8(15)6(2)4-7-5-17-9(14-7)10(11,12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate?
ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 267.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 69080375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).