ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

C16H18N2O5S — CID 986301

IUPACethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc(OC)cc2)n1
InChIInChI=1S/C16H18N2O5S/c1-3-22-15(20)8-11-10-24-16(17-11)18-14(19)9-23-13-6-4-12(21-2)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyTXPLUVPRSHVIOA-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.27
Rot. Bonds8

About ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 986301) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID986301
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Nameethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc(OC)cc2)n1
InChIInChI=1S/C16H18N2O5S/c1-3-22-15(20)8-11-10-24-16(17-11)18-14(19)9-23-13-6-4-12(21-2)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyTXPLUVPRSHVIOA-UHFFFAOYSA-N
XLogP2.27
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-(4,5-Dimethyl-thiazol-2-yl)-2-(2-methoxy-phenoxy)-acetamide
CID 893843
Ethyl (2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 699676
Ethyl (2-{[(4-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2066145
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
4-Methyl-2-(2-phenoxy-acetylamino)-thiazole-5-carboxylic acid methyl ester
CID 647925
{2-[3-(4-Methoxy-phenyl)-acryloylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 707195
Methyl 2-[2-(2-methoxyphenoxy)acetamido]-4-methyl-1,3-thiazole-5-carboxylate
CID 805985
N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 830441
ethyl 2-(2-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)thiazol-4-yl)acetate
CID 1078094
Ethyl (2-{[(2-ethoxyphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 1192514
Ethyl 2-[2-[(2-phenoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 2066144
{2-[2-(Naphthalen-2-yloxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 3146020

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 986301) is ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is TXPLUVPRSHVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-3-22-15(20)8-11-10-24-16(17-11)18-14(19)9-23-13-6-4-12(21-2)5-7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 350.40 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 986301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).