1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C17H20N2O2S — CID 95583764

IUPAC1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cs1
InChIInChI=1S/C17H20N2O2S/c1-12-9-19(17(20)8-15-11-22-13(2)18-15)10-16(21-12)14-6-4-3-5-7-14/h3-7,11-12,16H,8-10H2,1-2H3/t12-,16-/m1/s1
InChIKeyTYRQJPVGDVYNFH-MLGOLLRUSA-N
MW316.43 g/mol
LogP2.98
Rot. Bonds3

About 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 95583764) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID95583764
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cs1
InChIInChI=1S/C17H20N2O2S/c1-12-9-19(17(20)8-15-11-22-13(2)18-15)10-16(21-12)14-6-4-3-5-7-14/h3-7,11-12,16H,8-10H2,1-2H3/t12-,16-/m1/s1
InChIKeyTYRQJPVGDVYNFH-MLGOLLRUSA-N
XLogP2.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95583762
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]ethanone
CID 155499715
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
2,4-dimethyl-5-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136903624
4-amino-2-methyl-5-[2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136790529
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080904
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080902
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
(3S,4R)-4-(3-methoxyphenyl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 70777673
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 120625875
4-(1,3-benzodioxol-5-yl)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 78081540

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 95583764) is 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cs1.
What is the InChIKey of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is TYRQJPVGDVYNFH-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-9-19(17(20)8-15-11-22-13(2)18-15)10-16(21-12)14-6-4-3-5-7-14/h3-7,11-12,16H,8-10H2,1-2H3/t12-,16-/m1/s1.
What are the key properties of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 316.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 95583764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).