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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Related Compounds

methyl 4-chloro-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 61424655
methyl 2-(2-ethylpiperidin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113306720
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424528
methyl 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424762
methyl 2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423873
[4-tert-butyl-2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanol
CID 62780864
methyl 5-methyl-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazole-4-carboxylate
CID 115424829
methyl 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 82751409
methyl 2-(4-ethylazepan-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 113307228
2-(5-ethyl-2-methylmorpholin-4-yl)-1,3-benzothiazol-6-amine
CID 63231244
methyl 5-acetyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazole-4-carboxylate
CID 106697593
2-(5-ethyl-2-methylmorpholin-4-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107553797

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).