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

C13H15N3O6S — CID 14814731

IUPAC2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOCCOC(=O)C(=O)Nc1nc(-c2cc(CO)on2)cs1
InChIInChI=1S/C13H15N3O6S/c1-2-20-3-4-21-12(19)11(18)15-13-14-10(7-23-13)9-5-8(6-17)22-16-9/h5,7,17H,2-4,6H2,1H3,(H,14,15,18)
InChIKeyZPSGPRIFKYQLDT-UHFFFAOYSA-N
MW341.35 g/mol
LogP0.81
Rot. Bonds7

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

2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate (PubChem CID 14814731) has the molecular formula C13H15N3O6S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate
PubChem CID14814731
Molecular FormulaC13H15N3O6S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate
SMILESCCOCCOC(=O)C(=O)Nc1nc(-c2cc(CO)on2)cs1
InChIInChI=1S/C13H15N3O6S/c1-2-20-3-4-21-12(19)11(18)15-13-14-10(7-23-13)9-5-8(6-17)22-16-9/h5,7,17H,2-4,6H2,1H3,(H,14,15,18)
InChIKeyZPSGPRIFKYQLDT-UHFFFAOYSA-N
XLogP0.81
TPSA123.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate with MolForge

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Related Compounds

2-ethoxyethyl 2-[[4-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 14814729
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
2-ethoxyethyl 2-[[6-[[2-(2-ethoxyethoxy)-2-oxoacetyl]amino]-2-pyridinyl]amino]-2-oxoacetate
CID 13277216
ethyl 2-oxo-2-[[4-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,3-thiazol-2-yl]amino]acetate
CID 13177563
3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64557080
ethyl N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamate
CID 3624682
2-[[5-(2-ethoxyethyl)-4-(3-methoxy-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 54520801
5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46969057
ethyl 2-oxo-2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methylamino]acetate
CID 110317930
4-(3-chloro-4-pyridinyl)-N-(3-ethoxypropyl)-1,3-thiazol-2-amine
CID 100639506

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The IUPAC name of 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate (CID 14814731) is 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The canonical SMILES for 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate is CCOCCOC(=O)C(=O)Nc1nc(-c2cc(CO)on2)cs1.
What is the InChIKey of 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate?
The InChIKey is ZPSGPRIFKYQLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O6S/c1-2-20-3-4-21-12(19)11(18)15-13-14-10(7-23-13)9-5-8(6-17)22-16-9/h5,7,17H,2-4,6H2,1H3,(H,14,15,18).
What are the key properties of 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate?
2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate has a molecular weight of 341.35 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-[[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 14814731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).