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

C16H18N2O3S — CID 53246602

IUPAC5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOCCN1CCc2nc(COc3ccccc3)sc2C1=O
InChIInChI=1S/C16H18N2O3S/c1-20-10-9-18-8-7-13-15(16(18)19)22-14(17-13)11-21-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyWRFRNSSJAODSHW-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.37
Rot. Bonds6

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

5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53246602) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53246602
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOCCN1CCc2nc(COc3ccccc3)sc2C1=O
InChIInChI=1S/C16H18N2O3S/c1-20-10-9-18-8-7-13-15(16(18)19)22-14(17-13)11-21-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyWRFRNSSJAODSHW-UHFFFAOYSA-N
XLogP2.37
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53246602) is 5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is COCCN1CCc2nc(COc3ccccc3)sc2C1=O.
What is the InChIKey of 5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is WRFRNSSJAODSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-20-10-9-18-8-7-13-15(16(18)19)22-14(17-13)11-21-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of 5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 318.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53246602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).