ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate

C11H16N2O3S — CID 2325451

IUPACethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(N2CCOCC2)n1
InChIInChI=1S/C11H16N2O3S/c1-2-16-10(14)7-9-8-17-11(12-9)13-3-5-15-6-4-13/h8H,2-7H2,1H3
InChIKeyNDZOLYPESIETMS-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.09
Rot. Bonds4

About ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate

ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate (PubChem CID 2325451) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate
PubChem CID2325451
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate
SMILESCCOC(=O)Cc1csc(N2CCOCC2)n1
InChIInChI=1S/C11H16N2O3S/c1-2-16-10(14)7-9-8-17-11(12-9)13-3-5-15-6-4-13/h8H,2-7H2,1H3
InChIKeyNDZOLYPESIETMS-UHFFFAOYSA-N
XLogP1.09
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate (CID 2325451) is ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate is CCOC(=O)Cc1csc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is NDZOLYPESIETMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-16-10(14)7-9-8-17-11(12-9)13-3-5-15-6-4-13/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate?
ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 256.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 2325451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).