methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate

C13H20N2O3S — CID 115424074

IUPACmethyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCC1COC(C)CN1c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C13H20N2O3S/c1-5-10-7-18-8(2)6-15(10)13-14-11(9(3)19-13)12(16)17-4/h8,10H,5-7H2,1-4H3
InChIKeyROSMNHGFZRVWFW-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.24
Rot. Bonds3

About methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate

methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 115424074) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID115424074
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCC1COC(C)CN1c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C13H20N2O3S/c1-5-10-7-18-8(2)6-15(10)13-14-11(9(3)19-13)12(16)17-4/h8,10H,5-7H2,1-4H3
InChIKeyROSMNHGFZRVWFW-UHFFFAOYSA-N
XLogP2.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate (CID 115424074) is methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate is CCC1COC(C)CN1c1nc(C(=O)OC)c(C)s1.
What is the InChIKey of methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is ROSMNHGFZRVWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-10-7-18-8(2)6-15(10)13-14-11(9(3)19-13)12(16)17-4/h8,10H,5-7H2,1-4H3.
What are the key properties of methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate?
methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethyl-2-methylmorpholin-4-yl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115424074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).