2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate

C15H16N2O4S — CID 3067449

IUPAC2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOCCOC(=O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H16N2O4S/c1-2-20-8-9-21-14(19)13(18)17-15-16-12(10-22-15)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyZOOQXNXFZXSKMS-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.33
Rot. Bonds6

About 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate

2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate (PubChem CID 3067449) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
PubChem CID3067449
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
SMILESCCOCCOC(=O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C15H16N2O4S/c1-2-20-8-9-21-14(19)13(18)17-15-16-12(10-22-15)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,17,18)
InChIKeyZOOQXNXFZXSKMS-UHFFFAOYSA-N
XLogP2.33
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate (CID 3067449) is 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate is CCOCCOC(=O)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is ZOOQXNXFZXSKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-20-8-9-21-14(19)13(18)17-15-16-12(10-22-15)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,16,17,18).
What are the key properties of 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 320.37 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 3067449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).