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

C13H20N2O3S — CID 97059746

IUPACmethyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
SMILESCCc1nc(CN2C[C@@H](C)O[C@@H](C(=O)OC)C2)cs1
InChIInChI=1S/C13H20N2O3S/c1-4-12-14-10(8-19-12)6-15-5-9(2)18-11(7-15)13(16)17-3/h8-9,11H,4-7H2,1-3H3/t9-,11-/m1/s1
InChIKeyQUTANHLUWXKTJY-MWLCHTKSSA-N
MW284.38 g/mol
LogP1.47
Rot. Bonds4

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

methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate (PubChem CID 97059746) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
PubChem CID97059746
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
SMILESCCc1nc(CN2C[C@@H](C)O[C@@H](C(=O)OC)C2)cs1
InChIInChI=1S/C13H20N2O3S/c1-4-12-14-10(8-19-12)6-15-5-9(2)18-11(7-15)13(16)17-3/h8-9,11H,4-7H2,1-3H3/t9-,11-/m1/s1
InChIKeyQUTANHLUWXKTJY-MWLCHTKSSA-N
XLogP1.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (6R)-6-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxylate
CID 71970330
methyl (2S,6R)-6-methyl-4-(1,2-oxazol-3-ylmethyl)morpholine-2-carboxylate
CID 97064939
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
methyl (2R,6R)-4-ethyl-6-methylmorpholine-2-carboxylate
CID 127003930
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82032230
methyl (6R)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine-2-carboxylate
CID 75426549
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72840691
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
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
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 51092039

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate (CID 97059746) is methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate is CCc1nc(CN2C[C@@H](C)O[C@@H](C(=O)OC)C2)cs1.
What is the InChIKey of methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate?
The InChIKey is QUTANHLUWXKTJY-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-12-14-10(8-19-12)6-15-5-9(2)18-11(7-15)13(16)17-3/h8-9,11H,4-7H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate?
methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 97059746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).