[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate

C20H20N2O5S — CID 8874317

IUPAC[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(Nc2nc(COC(=O)COc3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C20H20N2O5S/c1-24-16-5-3-14(4-6-16)21-20-22-15(13-28-20)11-27-19(23)12-26-18-9-7-17(25-2)8-10-18/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyDSNBMJSMXJEIND-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.03
Rot. Bonds9

About [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate

[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate (PubChem CID 8874317) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate
PubChem CID8874317
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(Nc2nc(COC(=O)COc3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C20H20N2O5S/c1-24-16-5-3-14(4-6-16)21-20-22-15(13-28-20)11-27-19(23)12-26-18-9-7-17(25-2)8-10-18/h3-10,13H,11-12H2,1-2H3,(H,21,22)
InChIKeyDSNBMJSMXJEIND-UHFFFAOYSA-N
XLogP4.03
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7224449
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-5-methylphenoxy)acetate
CID 7224446
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(3-methylbenzoyl)amino]acetate
CID 9220938
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-phenoxypropanoate
CID 7841415
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2,5-dimethoxybenzoate
CID 7486994
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
CID 3074896
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoate
CID 24669787
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 41067208
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl (E)-3-quinolin-8-ylprop-2-enoate
CID 16617840
[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 4-(2-methylpropoxy)benzoate
CID 7175653
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 42898210

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate (CID 8874317) is [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate is COc1ccc(Nc2nc(COC(=O)COc3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate?
The InChIKey is DSNBMJSMXJEIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-24-16-5-3-14(4-6-16)21-20-22-15(13-28-20)11-27-19(23)12-26-18-9-7-17(25-2)8-10-18/h3-10,13H,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate?
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate has a molecular weight of 400.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 8874317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).