methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate

C12H11FN2O3S — CID 86642874

IUPACmethyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1OCc1csc(N)n1
InChIInChI=1S/C12H11FN2O3S/c1-17-11(16)9-3-2-7(13)4-10(9)18-5-8-6-19-12(14)15-8/h2-4,6H,5H2,1H3,(H2,14,15)
InChIKeyAOZZPCJONCYQOE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.23
Rot. Bonds4

About methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate

methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate (PubChem CID 86642874) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate
PubChem CID86642874
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Namemethyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate
SMILESCOC(=O)c1ccc(F)cc1OCc1csc(N)n1
InChIInChI=1S/C12H11FN2O3S/c1-17-11(16)9-3-2-7(13)4-10(9)18-5-8-6-19-12(14)15-8/h2-4,6H,5H2,1H3,(H2,14,15)
InChIKeyAOZZPCJONCYQOE-UHFFFAOYSA-N
XLogP2.23
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate?
The IUPAC name of methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate (CID 86642874) is methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate.
What is the SMILES notation for methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate?
The canonical SMILES for methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate is COC(=O)c1ccc(F)cc1OCc1csc(N)n1.
What is the InChIKey of methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate?
The InChIKey is AOZZPCJONCYQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-17-11(16)9-3-2-7(13)4-10(9)18-5-8-6-19-12(14)15-8/h2-4,6H,5H2,1H3,(H2,14,15).
What are the key properties of methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate?
methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate has a molecular weight of 282.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-1,3-thiazol-4-yl)methoxy]-4-fluorobenzoate is sourced from PubChem (CID 86642874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).