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

C16H18N2O4S — CID 699676

IUPACethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2cccc(C)c2)n1
InChIInChI=1S/C16H18N2O4S/c1-3-21-15(20)8-12-10-23-16(17-12)18-14(19)9-22-13-6-4-5-11(2)7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyJNMOGJGRFFKASN-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.57
Rot. Bonds7

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

ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 699676) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID699676
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Nameethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)COc2cccc(C)c2)n1
InChIInChI=1S/C16H18N2O4S/c1-3-21-15(20)8-12-10-23-16(17-12)18-14(19)9-22-13-6-4-5-11(2)7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyJNMOGJGRFFKASN-UHFFFAOYSA-N
XLogP2.57
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
{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-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 699676) is ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)COc2cccc(C)c2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is JNMOGJGRFFKASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-3-21-15(20)8-12-10-23-16(17-12)18-14(19)9-22-13-6-4-5-11(2)7-13/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 334.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(3-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 699676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).