6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one

C16H17N3O3S — CID 136563727

IUPAC6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(C2CC2)[nH]c1=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C16H17N3O3S/c20-14-11(3-4-12(18-14)10-1-2-10)16(21)19-6-7-22-13(9-19)15-17-5-8-23-15/h3-5,8,10,13H,1-2,6-7,9H2,(H,18,20)
InChIKeyHEYLUJIQTUJPRQ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.92
Rot. Bonds3

About 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one

6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 136563727) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID136563727
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(C2CC2)[nH]c1=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C16H17N3O3S/c20-14-11(3-4-12(18-14)10-1-2-10)16(21)19-6-7-22-13(9-19)15-17-5-8-23-15/h3-5,8,10,13H,1-2,6-7,9H2,(H,18,20)
InChIKeyHEYLUJIQTUJPRQ-UHFFFAOYSA-N
XLogP1.92
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-5-methyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 167845537
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(5-methyl-1,3-oxazol-2-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154738404
6-cyclopropyl-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563424
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124699789
[(1S,3R)-3-aminocyclopentyl]-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 125119764
(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124832131
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 119874237
3-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 124996496
(4-pyrazol-1-ylpiperidin-4-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone;dihydrochloride
CID 120940874
[5-(4-methoxyphenyl)-3-pyridinyl]-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126788795
N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 167965443

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 136563727) is 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(C2CC2)[nH]c1=O)N1CCOC(c2nccs2)C1.
What is the InChIKey of 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is HEYLUJIQTUJPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-14-11(3-4-12(18-14)10-1-2-10)16(21)19-6-7-22-13(9-19)15-17-5-8-23-15/h3-5,8,10,13H,1-2,6-7,9H2,(H,18,20).
What are the key properties of 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one?
6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 331.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 136563727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).