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

C13H20N2O3S — CID 71919322

IUPACmethyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
SMILESCCc1nc(CN2CC(C(=O)OC)O[C@H](C)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-BFHBGLAWSA-N
MW284.38 g/mol
LogP1.47
Rot. Bonds4

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

methyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate (PubChem CID 71919322) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
PubChem CID71919322
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate
SMILESCCc1nc(CN2CC(C(=O)OC)O[C@H](C)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-BFHBGLAWSA-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 (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)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-6-methylmorpholine-2-carboxylate
CID 71970335
2-Methoxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 45818377
Propan-2-yl 2-[4-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetate
CID 47079193
2,6-Dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086495
Ethyl 4-(morpholin-4-ylmethyl)-1,3-thiazole-2-carboxylate
CID 67334313
Ethyl (methyloxy)(4-methyl-1,3-thiazol-2-yl)acetate
CID 68643534
2,6-Dimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine
CID 90328963
1-[2-[2-[4-[(Dimethylamino)methyl]-1,3-thiazol-2-yl]ethoxy]ethoxy]propan-2-one
CID 171408281
4-[(2,6-Dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664581
4-[(2-Methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664584
4-[(2,5-Dimethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664651
4-[(2-Ethylmorpholin-4-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664652

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate?
The IUPAC name of methyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate (CID 71919322) is methyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate.
What is the SMILES notation for methyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate?
The canonical SMILES for methyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate is CCc1nc(CN2CC(C(=O)OC)O[C@H](C)C2)cs1.
What is the InChIKey of methyl (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate?
The InChIKey is QUTANHLUWXKTJY-BFHBGLAWSA-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 (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate?
methyl (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 (6R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-methylmorpholine-2-carboxylate is sourced from PubChem (CID 71919322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).