[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate

C13H12N2O3S — CID 2930812

IUPAC[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c1-9(16)18-11(10-5-3-2-4-6-10)12(17)15-13-14-7-8-19-13/h2-8,11H,1H3,(H,14,15,17)
InChIKeyRZYTZSZNCATTHU-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.39
Rot. Bonds4

About [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate

[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate (PubChem CID 2930812) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
PubChem CID2930812
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
SMILESCC(=O)OC(C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c1-9(16)18-11(10-5-3-2-4-6-10)12(17)15-13-14-7-8-19-13/h2-8,11H,1H3,(H,14,15,17)
InChIKeyRZYTZSZNCATTHU-UHFFFAOYSA-N
XLogP2.39
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate?
The IUPAC name of [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate (CID 2930812) is [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate.
What is the SMILES notation for [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate?
The canonical SMILES for [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate is CC(=O)OC(C(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate?
The InChIKey is RZYTZSZNCATTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-9(16)18-11(10-5-3-2-4-6-10)12(17)15-13-14-7-8-19-13/h2-8,11H,1H3,(H,14,15,17).
What are the key properties of [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate?
[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate has a molecular weight of 276.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate is sourced from PubChem (CID 2930812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).