methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate

C25H24FNO7S — CID 58541171

IUPACmethyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1csc(CC(=O)Cc2cc(F)ccc2Oc2cccc(OC)c2OC)n1
InChIInChI=1S/C25H24FNO7S/c1-31-21-5-4-6-22(25(21)33-3)34-20-9-7-16(26)11-15(20)12-17(28)13-23-27-18(14-35-23)19(29)8-10-24(30)32-2/h4-7,9,11,14H,8,10,12-13H2,1-3H3
InChIKeyMURFLBVDFRDZOJ-UHFFFAOYSA-N
MW501.53 g/mol
LogP4.58
Rot. Bonds12

About methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate

methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate (PubChem CID 58541171) has the molecular formula C25H24FNO7S and a molecular weight of 501.53 g/mol. Its IUPAC name is methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate
PubChem CID58541171
Molecular FormulaC25H24FNO7S
Molecular Weight501.53 g/mol
Exact Mass501.13
IUPAC Namemethyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1csc(CC(=O)Cc2cc(F)ccc2Oc2cccc(OC)c2OC)n1
InChIInChI=1S/C25H24FNO7S/c1-31-21-5-4-6-22(25(21)33-3)34-20-9-7-16(26)11-15(20)12-17(28)13-23-27-18(14-35-23)19(29)8-10-24(30)32-2/h4-7,9,11,14H,8,10,12-13H2,1-3H3
InChIKeyMURFLBVDFRDZOJ-UHFFFAOYSA-N
XLogP4.58
TPSA101.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Smart-F
CID 25227431
[2-(2-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258610
[2-(3-Fluorophenyl)-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 25258829
2,6-Dimethoxy-4-[(2-phenyl-4-thiazolyl)carbonyl]phenyl 2,2,2-trifluoroacetate
CID 58477879
Methyl 4-[4-(3,4,5-trimethoxybenzoyl)-2-thiazolyl]benzoate
CID 25258833
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
2-[2-[3-[5-Fluoro-2-(2-fluoro-6-methoxyphenoxy)phenyl]-2-oxopropyl]-1,3-thiazol-4-yl]acetic acid
CID 58541234
1-[2-[3-[2-(2,3-Dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-5-morpholin-4-ylpentan-2-one
CID 58541252
4-[2-[3-[2-(2,3-Dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoic acid
CID 58541286

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate (CID 58541171) is methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate is COC(=O)CCC(=O)c1csc(CC(=O)Cc2cc(F)ccc2Oc2cccc(OC)c2OC)n1.
What is the InChIKey of methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate?
The InChIKey is MURFLBVDFRDZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO7S/c1-31-21-5-4-6-22(25(21)33-3)34-20-9-7-16(26)11-15(20)12-17(28)13-23-27-18(14-35-23)19(29)8-10-24(30)32-2/h4-7,9,11,14H,8,10,12-13H2,1-3H3.
What are the key properties of methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate?
methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate has a molecular weight of 501.53 g/mol, XLogP of 4.58, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[3-[2-(2,3-dimethoxyphenoxy)-5-fluorophenyl]-2-oxopropyl]-1,3-thiazol-4-yl]-4-oxobutanoate is sourced from PubChem (CID 58541171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).