methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate

C15H15F3N2O3S — CID 57315936

IUPACmethoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate
SMILESCON=COC(=O)CC1=CN(c2ccc(C(F)(F)F)cc2C)CS1
InChIInChI=1S/C15H15F3N2O3S/c1-10-5-11(15(16,17)18)3-4-13(10)20-7-12(24-9-20)6-14(21)23-8-19-22-2/h3-5,7-8H,6,9H2,1-2H3
InChIKeyIVHZVUZFMZMKAT-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.89
Rot. Bonds5

About methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate

methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate (PubChem CID 57315936) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Namemethoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate
PubChem CID57315936
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Namemethoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate
SMILESCON=COC(=O)CC1=CN(c2ccc(C(F)(F)F)cc2C)CS1
InChIInChI=1S/C15H15F3N2O3S/c1-10-5-11(15(16,17)18)3-4-13(10)20-7-12(24-9-20)6-14(21)23-8-19-22-2/h3-5,7-8H,6,9H2,1-2H3
InChIKeyIVHZVUZFMZMKAT-UHFFFAOYSA-N
XLogP3.89
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate?
The IUPAC name of methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate (CID 57315936) is methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate?
The canonical SMILES for methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate is CON=COC(=O)CC1=CN(c2ccc(C(F)(F)F)cc2C)CS1.
What is the InChIKey of methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate?
The InChIKey is IVHZVUZFMZMKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-10-5-11(15(16,17)18)3-4-13(10)20-7-12(24-9-20)6-14(21)23-8-19-22-2/h3-5,7-8H,6,9H2,1-2H3.
What are the key properties of methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate?
methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate has a molecular weight of 360.36 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyiminomethyl 2-[3-[2-methyl-4-(trifluoromethyl)phenyl]-2H-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 57315936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).