methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate

C11H16N2O3S — CID 104961724

IUPACmethyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C11H16N2O3S/c1-7-5-13(6-8(2)16-7)11-12-4-9(17-11)10(14)15-3/h4,7-8H,5-6H2,1-3H3/t7-,8+
InChIKeyDEDXAGMNALUUJJ-OCAPTIKFSA-N
MW256.33 g/mol
LogP1.54
Rot. Bonds2

About methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate

methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate (PubChem CID 104961724) 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-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
PubChem CID104961724
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C11H16N2O3S/c1-7-5-13(6-8(2)16-7)11-12-4-9(17-11)10(14)15-3/h4,7-8H,5-6H2,1-3H3/t7-,8+
InChIKeyDEDXAGMNALUUJJ-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

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Related Compounds

methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 80571506
methyl 2-thiomorpholin-4-yl-1,3-thiazole-5-carboxylate
CID 80571882
methyl 2-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-1,3-thiazole-5-carboxylate
CID 156520065
N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62751920
methyl 2-(2,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 80572856
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571323
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-4-carboxylate
CID 104961725
methyl 2-(3-methylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 80571592
methyl 2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 80571616
methyl 2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1,3-thiazole-5-carboxylate
CID 80571298
2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62757083
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole-5-carboxylate
CID 80572955

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate (CID 104961724) is methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2C[C@@H](C)O[C@@H](C)C2)s1.
What is the InChIKey of methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is DEDXAGMNALUUJJ-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-5-13(6-8(2)16-7)11-12-4-9(17-11)10(14)15-3/h4,7-8H,5-6H2,1-3H3/t7-,8+.
What are the key properties of methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-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-5-carboxylate is sourced from PubChem (CID 104961724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).