methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate

C14H22N2O3S — CID 71970330

IUPACmethyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2csc(C(C)C)n2)C[C@@H](C)O1
InChIInChI=1S/C14H22N2O3S/c1-9(2)13-15-11(8-20-13)6-16-5-10(3)19-12(7-16)14(17)18-4/h8-10,12H,5-7H2,1-4H3/t10-,12?/m1/s1
InChIKeyVJSVTFYPFIMPOR-RWANSRKNSA-N
MW298.41 g/mol
LogP2.03
Rot. Bonds4

About methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate

methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate (PubChem CID 71970330) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate
PubChem CID71970330
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Namemethyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2csc(C(C)C)n2)C[C@@H](C)O1
InChIInChI=1S/C14H22N2O3S/c1-9(2)13-15-11(8-20-13)6-16-5-10(3)19-12(7-16)14(17)18-4/h8-10,12H,5-7H2,1-4H3/t10-,12?/m1/s1
InChIKeyVJSVTFYPFIMPOR-RWANSRKNSA-N
XLogP2.03
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate with MolForge

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Related Compounds

methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
CID 97059746
[6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanol
CID 102935921
methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
CID 97064939
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94381346
methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate
CID 75431209
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
3-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840487
methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 51324177
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
methyl (2R,6R)-6-methyl-4-(2-pyridin-4-ylethyl)morpholine-2-carboxylate
CID 97064914

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate (CID 71970330) is methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2csc(C(C)C)n2)C[C@@H](C)O1.
What is the InChIKey of methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate?
The InChIKey is VJSVTFYPFIMPOR-RWANSRKNSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9(2)13-15-11(8-20-13)6-16-5-10(3)19-12(7-16)14(17)18-4/h8-10,12H,5-7H2,1-4H3/t10-,12?/m1/s1.
What are the key properties of methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate?
methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate has a molecular weight of 298.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 71970330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).