[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

C18H22N2O2S — CID 42392462

IUPAC[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cs1
InChIInChI=1S/C18H22N2O2S/c1-13(2)17-19-16(12-23-17)18(21)20-8-9-22-15(11-20)10-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m1/s1
InChIKeyDOYAYYWBMJDRKC-OAHLLOKOSA-N
MW330.45 g/mol
LogP3.35
Rot. Bonds4

About [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone

[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 42392462) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID42392462
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cs1
InChIInChI=1S/C18H22N2O2S/c1-13(2)17-19-16(12-23-17)18(21)20-8-9-22-15(11-20)10-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m1/s1
InChIKeyDOYAYYWBMJDRKC-OAHLLOKOSA-N
XLogP3.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

[(2S)-2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 25313075
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286761
[(2R)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286762
[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 102604264
(2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 99819549
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
CID 71801610
2-benzyl-N-(2-methyl-3-pyrazol-1-ylpropyl)morpholine-4-carboxamide
CID 75445416
(2S)-2-benzyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]morpholine-4-carboxamide
CID 97336903

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone (CID 42392462) is [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is CC(C)c1nc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cs1.
What is the InChIKey of [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is DOYAYYWBMJDRKC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(2)17-19-16(12-23-17)18(21)20-8-9-22-15(11-20)10-14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone?
[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 330.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 42392462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).