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

C16H18N2O3S — CID 158991976

IUPAC1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cc(OCC2CCO2)cc(C(=O)Cc2nc(C)cs2)n1
InChIInChI=1S/C16H18N2O3S/c1-10-5-13(21-8-12-3-4-20-12)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyJQGRSKXKPZJJGS-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.75
Rot. Bonds6

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

1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 158991976) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID158991976
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1cc(OCC2CCO2)cc(C(=O)Cc2nc(C)cs2)n1
InChIInChI=1S/C16H18N2O3S/c1-10-5-13(21-8-12-3-4-20-12)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h5-6,9,12H,3-4,7-8H2,1-2H3
InChIKeyJQGRSKXKPZJJGS-UHFFFAOYSA-N
XLogP2.75
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-methyl-4-(oxetan-2-ylmethoxy)-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-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 161469712
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
1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158603269
1-(3-methyloxolan-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789180
1-[4-[(2R)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[4-[(2S)-2-methoxypropoxy]-6-methyl-2-pyridinyl]-2-pyridin-2-ylethanone
CID 160568026
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(oxan-2-ylmethoxy)pyridine-2-carboxamide
CID 118612900
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 51084081
1-[6-methyl-4-(thiolan-2-ylmethoxy)-2-pyridinyl]-2-pyridin-2-ylethanone
CID 158500124
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116602675
1-(4-methyl-1,3-thiazol-2-yl)-3-morpholin-3-ylpropan-2-one
CID 116595810

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 158991976) is 1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1cc(OCC2CCO2)cc(C(=O)Cc2nc(C)cs2)n1.
What is the InChIKey of 1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is JQGRSKXKPZJJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-5-13(21-8-12-3-4-20-12)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h5-6,9,12H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 318.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 158991976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).