ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate

C20H20N2O4S — CID 3074895

IUPACethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2csc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H20N2O4S/c1-3-25-19(23)12-26-17-8-4-14(5-9-17)18-13-27-20(22-18)21-15-6-10-16(24-2)11-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeySCEOOUHAQONRFU-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.50
Rot. Bonds8

About ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate

ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate (PubChem CID 3074895) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate
PubChem CID3074895
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Nameethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(-c2csc(Nc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C20H20N2O4S/c1-3-25-19(23)12-26-17-8-4-14(5-9-17)18-13-27-20(22-18)21-15-6-10-16(24-2)11-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,22)
InChIKeySCEOOUHAQONRFU-UHFFFAOYSA-N
XLogP4.50
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate (CID 3074895) is ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate is CCOC(=O)COc1ccc(-c2csc(Nc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
The InChIKey is SCEOOUHAQONRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-3-25-19(23)12-26-17-8-4-14(5-9-17)18-13-27-20(22-18)21-15-6-10-16(24-2)11-7-15/h4-11,13H,3,12H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate?
ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate has a molecular weight of 384.46 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenoxy]acetate is sourced from PubChem (CID 3074895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).