1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone

C15H17N3O3S — CID 167790756

IUPAC1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone
SMILESO=C(COc1ccsn1)N1CCOCC1Cc1ccncc1
InChIInChI=1S/C15H17N3O3S/c19-15(11-21-14-3-8-22-17-14)18-6-7-20-10-13(18)9-12-1-4-16-5-2-12/h1-5,8,13H,6-7,9-11H2
InChIKeyYPQCJPMWLLZEOK-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.39
Rot. Bonds5

About 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone

1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone (PubChem CID 167790756) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone.

Molecular Properties

Compound Name1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone
PubChem CID167790756
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone
SMILESO=C(COc1ccsn1)N1CCOCC1Cc1ccncc1
InChIInChI=1S/C15H17N3O3S/c19-15(11-21-14-3-8-22-17-14)18-6-7-20-10-13(18)9-12-1-4-16-5-2-12/h1-5,8,13H,6-7,9-11H2
InChIKeyYPQCJPMWLLZEOK-UHFFFAOYSA-N
XLogP1.39
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-[(3S)-4-(2-pyridin-4-ylacetyl)morpholin-3-yl]acetamide
CID 95891518
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
CID 110133432
2,3,5-trimethyl-6-[[4-(2-phenoxyacetyl)morpholin-3-yl]methyl]cyclohexa-2,5-diene-1,4-dione
CID 139821813
1-(3-benzylmorpholin-4-yl)-3-methylbutan-1-one
CID 110749916
1-(3-benzylmorpholin-4-yl)-5-phenylpent-4-en-1-one
CID 123193193
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 110132201
3-morpholin-4-yl-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 125012369
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 112537756
1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124959044
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone?
The IUPAC name of 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone (CID 167790756) is 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone.
What is the SMILES notation for 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone?
The canonical SMILES for 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone is O=C(COc1ccsn1)N1CCOCC1Cc1ccncc1.
What is the InChIKey of 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone?
The InChIKey is YPQCJPMWLLZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-15(11-21-14-3-8-22-17-14)18-6-7-20-10-13(18)9-12-1-4-16-5-2-12/h1-5,8,13H,6-7,9-11H2.
What are the key properties of 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone?
1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone has a molecular weight of 319.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyridin-4-ylmethyl)morpholin-4-yl]-2-(1,2-thiazol-3-yloxy)ethanone is sourced from PubChem (CID 167790756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).