ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

C17H20N2O5S — CID 2789610

IUPACethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)Oc2ccc(OC)cc2)nc1C
InChIInChI=1S/C17H20N2O5S/c1-5-23-16(21)14-10(2)18-17(25-14)19-15(20)11(3)24-13-8-6-12(22-4)7-9-13/h6-9,11H,5H2,1-4H3,(H,18,19,20)
InChIKeyIZYGFROXDVHEHO-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.04
Rot. Bonds7

About ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2789610) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2789610
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Nameethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)Oc2ccc(OC)cc2)nc1C
InChIInChI=1S/C17H20N2O5S/c1-5-23-16(21)14-10(2)18-17(25-14)19-15(20)11(3)24-13-8-6-12(22-4)7-9-13/h6-9,11H,5H2,1-4H3,(H,18,19,20)
InChIKeyIZYGFROXDVHEHO-UHFFFAOYSA-N
XLogP3.04
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 2789610) is ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C(C)Oc2ccc(OC)cc2)nc1C.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is IZYGFROXDVHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-5-23-16(21)14-10(2)18-17(25-14)19-15(20)11(3)24-13-8-6-12(22-4)7-9-13/h6-9,11H,5H2,1-4H3,(H,18,19,20).
What are the key properties of ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 364.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2789610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).