methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate

C17H15N3O6S — CID 9141010

IUPACmethyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)COc2ccc(C#N)cc2)n1
InChIInChI=1S/C17H15N3O6S/c1-24-15(22)6-12-10-27-17(19-12)20-14(21)8-26-16(23)9-25-13-4-2-11(7-18)3-5-13/h2-5,10H,6,8-9H2,1H3,(H,19,20,21)
InChIKeyVRCFKOHFBOGOJL-UHFFFAOYSA-N
MW389.39 g/mol
LogP1.29
Rot. Bonds8

About methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 9141010) has the molecular formula C17H15N3O6S and a molecular weight of 389.39 g/mol. Its IUPAC name is methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID9141010
Molecular FormulaC17H15N3O6S
Molecular Weight389.39 g/mol
Exact Mass389.07
IUPAC Namemethyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)COC(=O)COc2ccc(C#N)cc2)n1
InChIInChI=1S/C17H15N3O6S/c1-24-15(22)6-12-10-27-17(19-12)20-14(21)8-26-16(23)9-25-13-4-2-11(7-18)3-5-13/h2-5,10H,6,8-9H2,1H3,(H,19,20,21)
InChIKeyVRCFKOHFBOGOJL-UHFFFAOYSA-N
XLogP1.29
TPSA127.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8579410
methyl 2-[2-[[2-(2-ethoxyacetyl)oxyacetyl]amino]-1,3-thiazol-4-yl]acetate
CID 8709347
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
2-(4-cyanophenoxy)-N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 25486653
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 9139375
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7789394
methyl 2-[2-[[2-(4-cyanophenoxy)-2-(4-ethylsulfonylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 134472582
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] furan-2-carboxylate
CID 7814134
[2-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962610
methyl 2-[2-[3-(4-methoxyphenyl)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 38987123
2-[2-[[2-(4-iodophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 55441913
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate (CID 9141010) is methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)COC(=O)COc2ccc(C#N)cc2)n1.
What is the InChIKey of methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is VRCFKOHFBOGOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6S/c1-24-15(22)6-12-10-27-17(19-12)20-14(21)8-26-16(23)9-25-13-4-2-11(7-18)3-5-13/h2-5,10H,6,8-9H2,1H3,(H,19,20,21).
What are the key properties of methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 389.39 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-[2-(4-cyanophenoxy)acetyl]oxyacetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9141010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).