methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate

C10H12F3NO3S — CID 103146532

IUPACmethyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CCOCC(F)(F)F)sc1C
InChIInChI=1S/C10H12F3NO3S/c1-6-8(9(15)16-2)14-7(18-6)3-4-17-5-10(11,12)13/h3-5H2,1-2H3
InChIKeyUZFGRHOMNNTDLJ-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.36
Rot. Bonds5

About methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate (PubChem CID 103146532) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate
PubChem CID103146532
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Namemethyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CCOCC(F)(F)F)sc1C
InChIInChI=1S/C10H12F3NO3S/c1-6-8(9(15)16-2)14-7(18-6)3-4-17-5-10(11,12)13/h3-5H2,1-2H3
InChIKeyUZFGRHOMNNTDLJ-UHFFFAOYSA-N
XLogP2.36
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate (CID 103146532) is methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(CCOCC(F)(F)F)sc1C.
What is the InChIKey of methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate?
The InChIKey is UZFGRHOMNNTDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-6-8(9(15)16-2)14-7(18-6)3-4-17-5-10(11,12)13/h3-5H2,1-2H3.
What are the key properties of methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate has a molecular weight of 283.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103146532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).