1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C16H20N2O3S — CID 158603269

IUPAC1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOC[C@H](C)Oc1cc(C)nc(C(=O)Cc2nc(C)cs2)c1
InChIInChI=1S/C16H20N2O3S/c1-10-5-13(21-12(3)8-20-4)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h5-6,9,12H,7-8H2,1-4H3/t12-/m0/s1
InChIKeyWCYUPBZXQKOHGV-LBPRGKRZSA-N
MW320.41 g/mol
LogP2.99
Rot. Bonds7

About 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 158603269) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID158603269
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCOC[C@H](C)Oc1cc(C)nc(C(=O)Cc2nc(C)cs2)c1
InChIInChI=1S/C16H20N2O3S/c1-10-5-13(21-12(3)8-20-4)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h5-6,9,12H,7-8H2,1-4H3/t12-/m0/s1
InChIKeyWCYUPBZXQKOHGV-LBPRGKRZSA-N
XLogP2.99
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(azetidin-3-yloxy)-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 161469712
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
1-[6-methyl-4-(oxetan-2-ylmethoxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158991976
1-[6-methyl-4-(oxan-3-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 158295970
1-(2-amino-5-methoxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116602675
N-[(1Z,3E)-4-fluoro-1-(methylideneamino)penta-1,3-dienyl]-4-[(2S)-1-methoxypropan-2-yl]oxy-6-methylpyridine-2-carboxamide
CID 130381743
2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 71496472
4-(1-methoxypropan-2-yloxy)thiophene-2-carboxylic acid
CID 66439068
1-(4-methyl-1,3-thiazol-2-yl)-3-propan-2-yloxypropan-2-one
CID 79567146
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
CID 131842856
CID 131842856
3-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-one
CID 116552853

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 158603269) is 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is COC[C@H](C)Oc1cc(C)nc(C(=O)Cc2nc(C)cs2)c1.
What is the InChIKey of 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is WCYUPBZXQKOHGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10-5-13(21-12(3)8-20-4)6-14(17-10)15(19)7-16-18-11(2)9-22-16/h5-6,9,12H,7-8H2,1-4H3/t12-/m0/s1.
What are the key properties of 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 320.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 158603269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).