ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate

C13H19N3O4S — CID 6470921

IUPACethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCOCC2)n1
InChIInChI=1S/C13H19N3O4S/c1-2-20-12(18)7-10-9-21-13(14-10)15-11(17)8-16-3-5-19-6-4-16/h9H,2-8H2,1H3,(H,14,15,17)
InChIKeyZDOSQVHMOFOEIN-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.52
Rot. Bonds6

About ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 6470921) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID6470921
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Nameethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CN2CCOCC2)n1
InChIInChI=1S/C13H19N3O4S/c1-2-20-12(18)7-10-9-21-13(14-10)15-11(17)8-16-3-5-19-6-4-16/h9H,2-8H2,1H3,(H,14,15,17)
InChIKeyZDOSQVHMOFOEIN-UHFFFAOYSA-N
XLogP0.52
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate (CID 6470921) is ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CN2CCOCC2)n1.
What is the InChIKey of ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZDOSQVHMOFOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-2-20-12(18)7-10-9-21-13(14-10)15-11(17)8-16-3-5-19-6-4-16/h9H,2-8H2,1H3,(H,14,15,17).
What are the key properties of ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 313.38 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 6470921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).