ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate

C11H18N2O4S — CID 162402958

IUPACethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)C1=NCCS1
InChIInChI=1S/C11H18N2O4S/c1-3-16-9(14)7-13(8-10(15)17-4-2)11-12-5-6-18-11/h3-8H2,1-2H3
InChIKeySXQWNLGYDCMIKL-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.52
Rot. Bonds6

About ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate

ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate (PubChem CID 162402958) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate
PubChem CID162402958
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)CN(CC(=O)OCC)C1=NCCS1
InChIInChI=1S/C11H18N2O4S/c1-3-16-9(14)7-13(8-10(15)17-4-2)11-12-5-6-18-11/h3-8H2,1-2H3
InChIKeySXQWNLGYDCMIKL-UHFFFAOYSA-N
XLogP0.52
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate?
The IUPAC name of ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate (CID 162402958) is ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate is CCOC(=O)CN(CC(=O)OCC)C1=NCCS1.
What is the InChIKey of ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate?
The InChIKey is SXQWNLGYDCMIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-16-9(14)7-13(8-10(15)17-4-2)11-12-5-6-18-11/h3-8H2,1-2H3.
What are the key properties of ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate?
ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate has a molecular weight of 274.34 g/mol, XLogP of 0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4,5-dihydro-1,3-thiazol-2-yl-(2-ethoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 162402958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).