2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate

C16H15N2O5S- — CID 9153988

IUPAC2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C16H16N2O5S/c1-2-23-16(22)11-5-3-4-6-12(11)18-13(19)8-14-17-10(9-24-14)7-15(20)21/h3-6,9H,2,7-8H2,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyOOCHKPPUVDIRBE-UHFFFAOYSA-M
MW347.37 g/mol
LogP0.79
Rot. Bonds7

About 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate

2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate (PubChem CID 9153988) has the molecular formula C16H15N2O5S- and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
PubChem CID9153988
Molecular FormulaC16H15N2O5S-
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)c1ccccc1NC(=O)Cc1nc(CC(=O)[O-])cs1
InChIInChI=1S/C16H16N2O5S/c1-2-23-16(22)11-5-3-4-6-12(11)18-13(19)8-14-17-10(9-24-14)7-15(20)21/h3-6,9H,2,7-8H2,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyOOCHKPPUVDIRBE-UHFFFAOYSA-M
XLogP0.79
TPSA108.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methoxybenzoate
CID 2648465
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2,4-dihydroxybenzoate
CID 7500956
ethyl 2-(propanoylamino)benzoate
CID 4190428
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 110374734
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-methylthiophene-2-carboxylate
CID 4780773
ethyl 2-[[2-(2-aminophenyl)acetyl]amino]benzoate
CID 28712736
ethyl 2-[[2-(1,3-oxazol-4-yl)acetyl]amino]benzoate
CID 110686434
2-[2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9153877
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-methyl-1H-indole-3-carboxylate
CID 55441592
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 1-methylpyrrole-2-carboxylate
CID 2649257
ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
CID 110696258
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-phenylpropanoate
CID 25161612

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate (CID 9153988) is 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)c1ccccc1NC(=O)Cc1nc(CC(=O)[O-])cs1.
What is the InChIKey of 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is OOCHKPPUVDIRBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O5S/c1-2-23-16(22)11-5-3-4-6-12(11)18-13(19)8-14-17-10(9-24-14)7-15(20)21/h3-6,9H,2,7-8H2,1H3,(H,18,19)(H,20,21)/p-1.
What are the key properties of 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate?
2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 347.37 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 9153988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).