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

C16H18N2O5S — CID 3067450

IUPAC2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
SMILESCOCCOCCOC(=O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H18N2O5S/c1-21-7-8-22-9-10-23-15(20)14(19)18-16-17-13(11-24-16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,19)
InChIKeyWWCOCLGHUGETIT-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.95
Rot. Bonds8

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

2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate (PubChem CID 3067450) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
PubChem CID3067450
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
SMILESCOCCOCCOC(=O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H18N2O5S/c1-21-7-8-22-9-10-23-15(20)14(19)18-16-17-13(11-24-16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,19)
InChIKeyWWCOCLGHUGETIT-UHFFFAOYSA-N
XLogP1.95
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate (CID 3067450) is 2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate is COCCOCCOC(=O)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is WWCOCLGHUGETIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-21-7-8-22-9-10-23-15(20)14(19)18-16-17-13(11-24-16)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,18,19).
What are the key properties of 2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 350.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 3067450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).