[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate

C19H20N2O6S — CID 2490455

IUPAC[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)/C=C/c2ccc(OC)cc2)n1
InChIInChI=1S/C19H20N2O6S/c1-3-26-18(24)10-14-12-28-19(20-14)21-16(22)11-27-17(23)9-6-13-4-7-15(25-2)8-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,22)/b9-6+
InChIKeyAIMHBKURSDOLIV-RMKNXTFCSA-N
MW404.44 g/mol
LogP2.45
Rot. Bonds9

About [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate

[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 2490455) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID2490455
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)Cc1csc(NC(=O)COC(=O)/C=C/c2ccc(OC)cc2)n1
InChIInChI=1S/C19H20N2O6S/c1-3-26-18(24)10-14-12-28-19(20-14)21-16(22)11-27-17(23)9-6-13-4-7-15(25-2)8-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,22)/b9-6+
InChIKeyAIMHBKURSDOLIV-RMKNXTFCSA-N
XLogP2.45
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Tioxamast
CID 68927
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2168034
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-[(4-ethoxybenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 2381436
ethyl 2-(4-oxo-4H-chromene-2-carboxamido)thiazole-4-carboxylate
CID 3386436
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

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 2490455) is [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate is CCOC(=O)Cc1csc(NC(=O)COC(=O)/C=C/c2ccc(OC)cc2)n1.
What is the InChIKey of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is AIMHBKURSDOLIV-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-3-26-18(24)10-14-12-28-19(20-14)21-16(22)11-27-17(23)9-6-13-4-7-15(25-2)8-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,22)/b9-6+.
What are the key properties of [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate?
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 404.44 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2490455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).