2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide

C20H18F2N2O5S — CID 87431335

IUPAC2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide
SMILESCOOCc1sc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(OC)cc1
InChIInChI=1S/C20H18F2N2O5S/c1-26-12-5-3-11(4-6-12)19-15(9-29-27-2)30-16(24-19)10-28-14-8-7-13(21)17(18(14)22)20(23)25/h3-8H,9-10H2,1-2H3,(H2,23,25)
InChIKeyURVZEZJDWARJDF-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.85
Rot. Bonds9

About 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide

2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide (PubChem CID 87431335) has the molecular formula C20H18F2N2O5S and a molecular weight of 436.44 g/mol. Its IUPAC name is 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide
PubChem CID87431335
Molecular FormulaC20H18F2N2O5S
Molecular Weight436.44 g/mol
Exact Mass436.09
IUPAC Name2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide
SMILESCOOCc1sc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(OC)cc1
InChIInChI=1S/C20H18F2N2O5S/c1-26-12-5-3-11(4-6-12)19-15(9-29-27-2)30-16(24-19)10-28-14-8-7-13(21)17(18(14)22)20(23)25/h3-8H,9-10H2,1-2H3,(H2,23,25)
InChIKeyURVZEZJDWARJDF-UHFFFAOYSA-N
XLogP3.85
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide (CID 87431335) is 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide is COOCc1sc(COc2ccc(F)c(C(N)=O)c2F)nc1-c1ccc(OC)cc1.
What is the InChIKey of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide?
The InChIKey is URVZEZJDWARJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O5S/c1-26-12-5-3-11(4-6-12)19-15(9-29-27-2)30-16(24-19)10-28-14-8-7-13(21)17(18(14)22)20(23)25/h3-8H,9-10H2,1-2H3,(H2,23,25).
What are the key properties of 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide has a molecular weight of 436.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[[4-(4-methoxyphenyl)-5-(methylperoxymethyl)-1,3-thiazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 87431335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).