(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate

C21H20FNO4S — CID 55477220

IUPAC(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(F)cc1COC(=O)Cc1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C21H20FNO4S/c1-14-3-6-18(7-4-14)26-12-20-23-17(13-28-20)10-21(24)27-11-15-9-16(22)5-8-19(15)25-2/h3-9,13H,10-12H2,1-2H3
InChIKeyYRNRLNMKTWLEPD-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.46
Rot. Bonds8

About (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate

(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 55477220) has the molecular formula C21H20FNO4S and a molecular weight of 401.46 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
PubChem CID55477220
Molecular FormulaC21H20FNO4S
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
SMILESCOc1ccc(F)cc1COC(=O)Cc1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C21H20FNO4S/c1-14-3-6-18(7-4-14)26-12-20-23-17(13-28-20)10-21(24)27-11-15-9-16(22)5-8-19(15)25-2/h3-9,13H,10-12H2,1-2H3
InChIKeyYRNRLNMKTWLEPD-UHFFFAOYSA-N
XLogP4.46
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 55420458
N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 55472121
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 112798687
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51267222
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 26989319
methyl 4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]-3-methoxybenzoate
CID 16625207
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 26989106
N-(5-cyano-2-methoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 49182333
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)acetate
CID 55422373
(3-iodophenyl) 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 16572622
(1-propyltetrazol-5-yl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55476826
4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55893462

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate (CID 55477220) is (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate is COc1ccc(F)cc1COC(=O)Cc1csc(COc2ccc(C)cc2)n1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is YRNRLNMKTWLEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO4S/c1-14-3-6-18(7-4-14)26-12-20-23-17(13-28-20)10-21(24)27-11-15-9-16(22)5-8-19(15)25-2/h3-9,13H,10-12H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 401.46 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 55477220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).