methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate

C12H18N2O3S — CID 113306904

IUPACmethyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C12H18N2O3S/c1-8-5-14(7-12(2,3)17-8)11-13-9(6-18-11)10(15)16-4/h6,8H,5,7H2,1-4H3
InChIKeyXVJHLDYWWGEYAO-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.93
Rot. Bonds2

About methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate

methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate (PubChem CID 113306904) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
PubChem CID113306904
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CC(C)OC(C)(C)C2)n1
InChIInChI=1S/C12H18N2O3S/c1-8-5-14(7-12(2,3)17-8)11-13-9(6-18-11)10(15)16-4/h6,8H,5,7H2,1-4H3
InChIKeyXVJHLDYWWGEYAO-UHFFFAOYSA-N
XLogP1.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate (CID 113306904) is methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N2CC(C)OC(C)(C)C2)n1.
What is the InChIKey of methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is XVJHLDYWWGEYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-5-14(7-12(2,3)17-8)11-13-9(6-18-11)10(15)16-4/h6,8H,5,7H2,1-4H3.
What are the key properties of methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate?
methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113306904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).