5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C15H16N2O2S — CID 53247471

IUPAC5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCCN1CCc2nc(COc3ccccc3)sc2C1=O
InChIInChI=1S/C15H16N2O2S/c1-2-17-9-8-12-14(15(17)18)20-13(16-12)10-19-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyNYPIUPDLYFZFBF-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.74
Rot. Bonds4

About 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53247471) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53247471
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCCN1CCc2nc(COc3ccccc3)sc2C1=O
InChIInChI=1S/C15H16N2O2S/c1-2-17-9-8-12-14(15(17)18)20-13(16-12)10-19-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyNYPIUPDLYFZFBF-UHFFFAOYSA-N
XLogP2.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 53246601
CID 53246601
CID 53246605
CID 53246605
CID 53246607
CID 53246607
CID 53246971
CID 53246971
CID 53246975
CID 53246975
CID 53246977
CID 53246977
CID 53247219
CID 53247219
CID 67246999
CID 67246999
CID 68497905
CID 68497905
CID 55104117
CID 55104117
CID 122195899
CID 122195899
CID 53246602
CID 53246602

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53247471) is 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CCN1CCc2nc(COc3ccccc3)sc2C1=O.
What is the InChIKey of 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is NYPIUPDLYFZFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-2-17-9-8-12-14(15(17)18)20-13(16-12)10-19-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 288.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53247471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).