methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate

C11H16N2O3S — CID 104961725

IUPACmethyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C11H16N2O3S/c1-7-4-13(5-8(2)16-7)11-12-9(6-17-11)10(14)15-3/h6-8H,4-5H2,1-3H3/t7-,8+
InChIKeyFCLUYNGTKIIHGZ-OCAPTIKFSA-N
MW256.33 g/mol
LogP1.54
Rot. Bonds2

About methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate

methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 104961725) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
PubChem CID104961725
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C11H16N2O3S/c1-7-4-13(5-8(2)16-7)11-12-9(6-17-11)10(14)15-3/h6-8H,4-5H2,1-3H3/t7-,8+
InChIKeyFCLUYNGTKIIHGZ-OCAPTIKFSA-N
XLogP1.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylate
CID 113306904
methyl 2-(4-ethyl-3-methylpiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 113307122
methyl 2-(3,5-dioxopiperazin-1-yl)-1,3-thiazole-4-carboxylate
CID 115424764
2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide
CID 125143689
methyl 6-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxylate
CID 123942155
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 104961724
methyl 2-(2-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423691
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-4-carboxylate
CID 80569525
methyl 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazole-4-carboxylate
CID 115424343
methyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboxylate
CID 129497950
methyl 2-(1-oxa-8-azaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxylate
CID 70845976
methyl 2-[(3R)-3-methyl-4-[(4-trimethylsilylphenyl)carbamoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 46853844

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate (CID 104961725) is methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is FCLUYNGTKIIHGZ-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-4-13(5-8(2)16-7)11-12-9(6-17-11)10(14)15-3/h6-8H,4-5H2,1-3H3/t7-,8+.
What are the key properties of methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate?
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 104961725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).