1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C15H17N3O2S — CID 161469712

IUPAC1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cc(OC2CNC2)cc(C(=O)Cc2nc(C)cs2)n1
InChIInChI=1S/C15H17N3O2S/c1-9-3-11(20-12-6-16-7-12)4-13(17-9)14(19)5-15-18-10(2)8-21-15/h3-4,8,12,16H,5-7H2,1-2H3
InChIKeyWCXJSTCYLVLHOG-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.93
Rot. Bonds5

About 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 161469712) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID161469712
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cc(OC2CNC2)cc(C(=O)Cc2nc(C)cs2)n1
InChIInChI=1S/C15H17N3O2S/c1-9-3-11(20-12-6-16-7-12)4-13(17-9)14(19)5-15-18-10(2)8-21-15/h3-4,8,12,16H,5-7H2,1-2H3
InChIKeyWCXJSTCYLVLHOG-UHFFFAOYSA-N
XLogP1.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

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Related Compounds

1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158295970
1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158991976
1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158603269
1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone
CID 158318034
1-(4-methylpyrrolidin-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116572647
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
1-[4-(1-acetylazetidin-3-yl)oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-[(3R,5R)-5-methyloxolan-3-yl]oxy-2-pyridinyl]ethanone;3-methyl-1-[3-[[2-methyl-6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-4-pyridinyl]oxy]azetidin-1-yl]butan-1-one;1-[6-methyl-4-(1-oxothietan-3-yl)oxy-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-[6-methyl-4-(thietan-3-yloxy)-2-pyridinyl]ethanone
CID 158002161
1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
CID 161241790
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116602675
6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-[(3R)-oxolan-3-yl]oxypyridine-2-carboxamide
CID 118613176
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 161469712) is 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1cc(OC2CNC2)cc(C(=O)Cc2nc(C)cs2)n1.
What is the InChIKey of 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is WCXJSTCYLVLHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-3-11(20-12-6-16-7-12)4-13(17-9)14(19)5-15-18-10(2)8-21-15/h3-4,8,12,16H,5-7H2,1-2H3.
What are the key properties of 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 303.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 161469712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).