methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate

C20H18FNO5S — CID 16625207

IUPACmethyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCc2csc(COc3ccc(F)cc3)n2)c(OC)c1
InChIInChI=1S/C20H18FNO5S/c1-24-18-9-13(20(23)25-2)3-8-17(18)27-10-15-12-28-19(22-15)11-26-16-6-4-14(21)5-7-16/h3-9,12H,10-11H2,1-2H3
InChIKeyKYBHRWMLOJINGY-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.24
Rot. Bonds8

About methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate

methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate (PubChem CID 16625207) has the molecular formula C20H18FNO5S and a molecular weight of 403.43 g/mol. Its IUPAC name is methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
PubChem CID16625207
Molecular FormulaC20H18FNO5S
Molecular Weight403.43 g/mol
Exact Mass403.09
IUPAC Namemethyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
SMILESCOC(=O)c1ccc(OCc2csc(COc3ccc(F)cc3)n2)c(OC)c1
InChIInChI=1S/C20H18FNO5S/c1-24-18-9-13(20(23)25-2)3-8-17(18)27-10-15-12-28-19(22-15)11-26-16-6-4-14(21)5-7-16/h3-9,12H,10-11H2,1-2H3
InChIKeyKYBHRWMLOJINGY-UHFFFAOYSA-N
XLogP4.24
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate with MolForge

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Related Compounds

[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55420458
methyl 3-methoxy-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methoxy]benzoate
CID 30786002
methyl 4-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 51173434
3-methoxy-4-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 51297612
(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55477220
2-[(4-fluorophenoxy)methyl]-4-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazole
CID 16960575
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 112798687
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
ethyl 4-[[2-[(4-aminophenyl)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 23512000
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16567114

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate?
The IUPAC name of methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate (CID 16625207) is methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate is COC(=O)c1ccc(OCc2csc(COc3ccc(F)cc3)n2)c(OC)c1.
What is the InChIKey of methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate?
The InChIKey is KYBHRWMLOJINGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5S/c1-24-18-9-13(20(23)25-2)3-8-17(18)27-10-15-12-28-19(22-15)11-26-16-6-4-14(21)5-7-16/h3-9,12H,10-11H2,1-2H3.
What are the key properties of methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate?
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate has a molecular weight of 403.43 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate is sourced from PubChem (CID 16625207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).