1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone

C15H16N2O2S — CID 122195899

IUPAC1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone
SMILESCC(=O)N1CCCc2nc(COc3ccccc3)sc21
InChIInChI=1S/C15H16N2O2S/c1-11(18)17-9-5-8-13-15(17)20-14(16-13)10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyNHXDOTZFMWBEJA-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.02
Rot. Bonds3

About 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone

1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone (PubChem CID 122195899) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone
PubChem CID122195899
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone
SMILESCC(=O)N1CCCc2nc(COc3ccccc3)sc21
InChIInChI=1S/C15H16N2O2S/c1-11(18)17-9-5-8-13-15(17)20-14(16-13)10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3
InChIKeyNHXDOTZFMWBEJA-UHFFFAOYSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone?
The IUPAC name of 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone (CID 122195899) is 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone?
The canonical SMILES for 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone is CC(=O)N1CCCc2nc(COc3ccccc3)sc21.
What is the InChIKey of 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone?
The InChIKey is NHXDOTZFMWBEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(18)17-9-5-8-13-15(17)20-14(16-13)10-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3.
What are the key properties of 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone?
1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone has a molecular weight of 288.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenoxymethyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridin-4-yl]ethanone is sourced from PubChem (CID 122195899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).