1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone

C16H19N3O2S — CID 39080902

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESC[C@@H]1CN(C(=O)Cc2csc(-c3ccncc3)n2)C[C@@H](C)O1
InChIInChI=1S/C16H19N3O2S/c1-11-8-19(9-12(2)21-11)15(20)7-14-10-22-16(18-14)13-3-5-17-6-4-13/h3-6,10-12H,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyUFQKLACWEFTDLY-VXGBXAGGSA-N
MW317.41 g/mol
LogP2.38
Rot. Bonds3

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 39080902) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID39080902
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESC[C@@H]1CN(C(=O)Cc2csc(-c3ccncc3)n2)C[C@@H](C)O1
InChIInChI=1S/C16H19N3O2S/c1-11-8-19(9-12(2)21-11)15(20)7-14-10-22-16(18-14)13-3-5-17-6-4-13/h3-6,10-12H,7-9H2,1-2H3/t11-,12-/m1/s1
InChIKeyUFQKLACWEFTDLY-VXGBXAGGSA-N
XLogP2.38
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone with MolForge

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Related Compounds

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080904
1-(2,6-dimethylmorpholin-4-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 46514456
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 94180394
1-(azepan-1-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080861
1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 55673036
1-(3,5-dimethylpiperidin-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
CID 112772042
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080929
1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95583762
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95583764
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 106672042
2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 82032239
2-[2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 60708872

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone (CID 39080902) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone is C[C@@H]1CN(C(=O)Cc2csc(-c3ccncc3)n2)C[C@@H](C)O1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is UFQKLACWEFTDLY-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-8-19(9-12(2)21-11)15(20)7-14-10-22-16(18-14)13-3-5-17-6-4-13/h3-6,10-12H,7-9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 317.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 39080902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).