2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

C13H15N3O5S — CID 14814729

IUPAC2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOCCOC(=O)C(=O)Nc1nc(-c2cc(C)on2)cs1
InChIInChI=1S/C13H15N3O5S/c1-3-19-4-5-20-12(18)11(17)15-13-14-10(7-22-13)9-6-8(2)21-16-9/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyMJDRXBYNDBEREB-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.62
Rot. Bonds6

About 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate

2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (PubChem CID 14814729) has the molecular formula C13H15N3O5S and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
PubChem CID14814729
Molecular FormulaC13H15N3O5S
Molecular Weight325.35 g/mol
Exact Mass325.07
IUPAC Name2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOCCOC(=O)C(=O)Nc1nc(-c2cc(C)on2)cs1
InChIInChI=1S/C13H15N3O5S/c1-3-19-4-5-20-12(18)11(17)15-13-14-10(7-22-13)9-6-8(2)21-16-9/h6-7H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyMJDRXBYNDBEREB-UHFFFAOYSA-N
XLogP1.62
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 14814731
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 3068161
ethyl 2-oxo-2-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]acetate
CID 3068160
ethyl 2-[[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 13177556
ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate
CID 13177563
2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate
CID 13277216
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8873073
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64557080

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The IUPAC name of 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate (CID 14814729) is 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The canonical SMILES for 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is CCOCCOC(=O)C(=O)Nc1nc(-c2cc(C)on2)cs1.
What is the InChIKey of 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The InChIKey is MJDRXBYNDBEREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S/c1-3-19-4-5-20-12(18)11(17)15-13-14-10(7-22-13)9-6-8(2)21-16-9/h6-7H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate?
2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate has a molecular weight of 325.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 14814729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).