[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate

C13H11N3O6S — CID 4274507

IUPAC[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C13H11N3O6S/c17-10(15-13-14-6-11(23-13)16(19)20)7-22-12(18)8-21-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
InChIKeyMYGVCLCQXLGEHR-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.61
Rot. Bonds7

About [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate

[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 4274507) has the molecular formula C13H11N3O6S and a molecular weight of 337.31 g/mol. Its IUPAC name is [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID4274507
Molecular FormulaC13H11N3O6S
Molecular Weight337.31 g/mol
Exact Mass337.04
IUPAC Name[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C13H11N3O6S/c17-10(15-13-14-6-11(23-13)16(19)20)7-22-12(18)8-21-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17)
InChIKeyMYGVCLCQXLGEHR-UHFFFAOYSA-N
XLogP1.61
TPSA120.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide
CID 3148028
N-(5-nitro-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 2947324
N-(5-nitro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2950802
2-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 693869
2-(4-ethoxyphenoxy)-N-1,3-thiazol-2-ylacetamide
CID 732622
2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 3152621
2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 717241
N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide
CID 127050443
N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 127050756
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide
CID 127050757

Frequently Asked Questions

What is the IUPAC name of [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate (CID 4274507) is [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is MYGVCLCQXLGEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O6S/c17-10(15-13-14-6-11(23-13)16(19)20)7-22-12(18)8-21-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,14,15,17).
What are the key properties of [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate?
[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 337.31 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 4274507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).