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

C10H13F2NO3S — CID 103146531

IUPACmethyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CCOCC(F)F)sc1C
InChIInChI=1S/C10H13F2NO3S/c1-6-9(10(14)15-2)13-8(17-6)3-4-16-5-7(11)12/h7H,3-5H2,1-2H3
InChIKeyIOZULPYJQJHIJN-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.06
Rot. Bonds6

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

methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 103146531) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID103146531
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Namemethyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(CCOCC(F)F)sc1C
InChIInChI=1S/C10H13F2NO3S/c1-6-9(10(14)15-2)13-8(17-6)3-4-16-5-7(11)12/h7H,3-5H2,1-2H3
InChIKeyIOZULPYJQJHIJN-UHFFFAOYSA-N
XLogP2.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.06
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 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate (CID 103146531) is methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(CCOCC(F)F)sc1C.
What is the InChIKey of methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is IOZULPYJQJHIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-6-9(10(14)15-2)13-8(17-6)3-4-16-5-7(11)12/h7H,3-5H2,1-2H3.
What are the key properties of methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 265.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 103146531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).