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

C24H21F2NO6S — CID 58541382

IUPACmethyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1csc(CC(=O)Cc2cc(F)ccc2Oc2c(F)cccc2OC)n1
InChIInChI=1S/C24H21F2NO6S/c1-31-21-5-3-4-17(26)24(21)33-20-8-6-15(25)10-14(20)11-16(28)12-22-27-18(13-34-22)19(29)7-9-23(30)32-2/h3-6,8,10,13H,7,9,11-12H2,1-2H3
InChIKeyUOXRZJIDIRZPLR-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.71
Rot. Bonds11

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

methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate (PubChem CID 58541382) has the molecular formula C24H21F2NO6S and a molecular weight of 489.50 g/mol. Its IUPAC name is methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate
PubChem CID58541382
Molecular FormulaC24H21F2NO6S
Molecular Weight489.50 g/mol
Exact Mass489.11
IUPAC Namemethyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1csc(CC(=O)Cc2cc(F)ccc2Oc2c(F)cccc2OC)n1
InChIInChI=1S/C24H21F2NO6S/c1-31-21-5-3-4-17(26)24(21)33-20-8-6-15(25)10-14(20)11-16(28)12-22-27-18(13-34-22)19(29)7-9-23(30)32-2/h3-6,8,10,13H,7,9,11-12H2,1-2H3
InChIKeyUOXRZJIDIRZPLR-UHFFFAOYSA-N
XLogP4.71
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

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
Methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate
CID 58541171
2-[2-[3-[5-Fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541234
4-[2-[3-[2-(2,3-Dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoic acid
CID 58541286
4-[2-[3-[5-Fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoic acid
CID 58541300
N-ethyl-2-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetamide
CID 58541311
Methyl 5-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoate
CID 58541360
5-[2-[3-[5-Fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 58541397

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate (CID 58541382) is methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate is COC(=O)CCC(=O)c1csc(CC(=O)Cc2cc(F)ccc2Oc2c(F)cccc2OC)n1.
What is the InChIKey of methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate?
The InChIKey is UOXRZJIDIRZPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO6S/c1-31-21-5-3-4-17(26)24(21)33-20-8-6-15(25)10-14(20)11-16(28)12-22-27-18(13-34-22)19(29)7-9-23(30)32-2/h3-6,8,10,13H,7,9,11-12H2,1-2H3.
What are the key properties of methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate?
methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate has a molecular weight of 489.50 g/mol, XLogP of 4.71, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[3-[5-fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate is sourced from PubChem (CID 58541382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).