methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate

C25H23F2NO6S — CID 58541360

IUPACmethyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2Oc2c(F)cccc2OC)n1
InChIInChI=1S/C25H23F2NO6S/c1-32-22-5-3-4-20(27)25(22)34-21-8-6-16(26)10-15(21)11-19(30)13-23-28-17(14-35-23)12-18(29)7-9-24(31)33-2/h3-6,8,10,14H,7,9,11-13H2,1-2H3
InChIKeyRYTYRNBOEXGXDA-UHFFFAOYSA-N
MW503.52 g/mol
LogP4.64
Rot. Bonds12

About methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate

methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate (PubChem CID 58541360) has the molecular formula C25H23F2NO6S and a molecular weight of 503.52 g/mol. Its IUPAC name is methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate
PubChem CID58541360
Molecular FormulaC25H23F2NO6S
Molecular Weight503.52 g/mol
Exact Mass503.12
IUPAC Namemethyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate
SMILESCOC(=O)CCC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2Oc2c(F)cccc2OC)n1
InChIInChI=1S/C25H23F2NO6S/c1-32-22-5-3-4-20(27)25(22)34-21-8-6-16(26)10-15(21)11-19(30)13-23-28-17(14-35-23)12-18(29)7-9-24(31)33-2/h3-6,8,10,14H,7,9,11-13H2,1-2H3
InChIKeyRYTYRNBOEXGXDA-UHFFFAOYSA-N
XLogP4.64
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.52
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate with MolForge

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Related Compounds

8-methoxy-3-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-2H-chromen-2-one
CID 2235857
3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-8-methoxy-2H-chromen-2-one
CID 29136178
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-8-methoxy-2H-chromen-2-one
CID 29139975
Methyl (+/-)-3[4-(trifluoromethyl)thiazol-2-yl]-4-(4-benzyloxyphenyl)butanoate
CID 20775667
4-(4-Phenylmethoxyphenyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanoic acid
CID 22496020
2-(4-Phenylmethoxyphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 22496023
2-[3-[5-Fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58541133
2-[2-[3-[2-(2-Fluoro-6-methoxyphenoxy)-4-methylphenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541135
2-[2-[3-[2-(2,3-Dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541151
Methyl 6-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-oxohexanoate
CID 58541152
1-[2-[3-[2-(2,3-Dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-methoxybutan-1-one
CID 58541164
Ethyl 2-[2-[3-[5-fluoro-2-(2-methoxybenzoyl)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetate
CID 58541165

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate?
The IUPAC name of methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate (CID 58541360) is methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate.
What is the SMILES notation for methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate?
The canonical SMILES for methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate is COC(=O)CCC(=O)Cc1csc(CC(=O)Cc2cc(F)ccc2Oc2c(F)cccc2OC)n1.
What is the InChIKey of methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate?
The InChIKey is RYTYRNBOEXGXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO6S/c1-32-22-5-3-4-20(27)25(22)34-21-8-6-16(26)10-15(21)11-19(30)13-23-28-17(14-35-23)12-18(29)7-9-24(31)33-2/h3-6,8,10,14H,7,9,11-13H2,1-2H3.
What are the key properties of methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate?
methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate has a molecular weight of 503.52 g/mol, XLogP of 4.64, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate is sourced from PubChem (CID 58541360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).