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

C19H22N2O3S — CID 53246601

IUPAC5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1CC1CCOCC1
InChIInChI=1S/C19H22N2O3S/c22-19-18-16(6-9-21(19)12-14-7-10-23-11-8-14)20-17(25-18)13-24-15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyAKROTTPUGAYNBQ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.15
Rot. Bonds5

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

5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53246601) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53246601
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1CC1CCOCC1
InChIInChI=1S/C19H22N2O3S/c22-19-18-16(6-9-21(19)12-14-7-10-23-11-8-14)20-17(25-18)13-24-15-4-2-1-3-5-15/h1-5,14H,6-13H2
InChIKeyAKROTTPUGAYNBQ-UHFFFAOYSA-N
XLogP3.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53246601) is 5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(COc3ccccc3)nc2CCN1CC1CCOCC1.
What is the InChIKey of 5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is AKROTTPUGAYNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19-18-16(6-9-21(19)12-14-7-10-23-11-8-14)20-17(25-18)13-24-15-4-2-1-3-5-15/h1-5,14H,6-13H2.
What are the key properties of 5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 358.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-ylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53246601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).