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

C14H14N2O4S — CID 3067448

IUPAC2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
SMILESCOCCOC(=O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H14N2O4S/c1-19-7-8-20-13(18)12(17)16-14-15-11(9-21-14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16,17)
InChIKeyZSSSUXLAVXQWSM-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.94
Rot. Bonds5

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

2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate (PubChem CID 3067448) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
PubChem CID3067448
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate
SMILESCOCCOC(=O)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H14N2O4S/c1-19-7-8-20-13(18)12(17)16-14-15-11(9-21-14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16,17)
InChIKeyZSSSUXLAVXQWSM-UHFFFAOYSA-N
XLogP1.94
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.94
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-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
The IUPAC name of 2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate (CID 3067448) is 2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate.
What is the SMILES notation for 2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
The canonical SMILES for 2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate is COCCOC(=O)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
The InChIKey is ZSSSUXLAVXQWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-19-7-8-20-13(18)12(17)16-14-15-11(9-21-14)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16,17).
What are the key properties of 2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate?
2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate has a molecular weight of 306.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetate is sourced from PubChem (CID 3067448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).