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

C21H20N2O4S — CID 1115159

IUPACethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C21H20N2O4S/c1-2-26-20(25)12-17-14-28-21(22-17)23-19(24)13-27-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,22,23,24)
InChIKeyJLAKIQPSNSWDAZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.93
Rot. Bonds8

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

ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 1115159) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID1115159
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Nameethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C21H20N2O4S/c1-2-26-20(25)12-17-14-28-21(22-17)23-19(24)13-27-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,22,23,24)
InChIKeyJLAKIQPSNSWDAZ-UHFFFAOYSA-N
XLogP3.93
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl (2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 699676
Methyl 2-{[(2,6-dimethylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 1285343
Ethyl (2-{[(4-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 2066145
Ethyl 2-[2-[(4-oxochromene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 3548924
Methyl 4-methyl-2-[2-(4-methylphenoxy)acetamido]-1,3-thiazole-5-carboxylate
CID 698158
Ethyl 2-{[(4-tert-butylphenoxy)acetyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
CID 978479
{2-[3-(4-Methoxy-phenyl)-acryloylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 707195
{2-[2-(4-Methoxy-phenoxy)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 986301
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
Methyl 4-methyl-2-[2-(naphthalen-1-yloxy)acetamido]-1,3-thiazole-5-carboxylate
CID 1317019
Ethyl 2-[2-[(2-phenoxyacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 2066144

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 1115159) is ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is JLAKIQPSNSWDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-2-26-20(25)12-17-14-28-21(22-17)23-19(24)13-27-18-10-8-16(9-11-18)15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,22,23,24).
What are the key properties of ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 396.47 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-phenylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 1115159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).