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

C16H18N2O2S — CID 53247590

IUPAC2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC(C)N1CCc2nc(COc3ccccc3)sc2C1=O
InChIInChI=1S/C16H18N2O2S/c1-11(2)18-9-8-13-15(16(18)19)21-14(17-13)10-20-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyNGXZHBZEXOPVGR-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.13
Rot. Bonds4

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

2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53247590) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53247590
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCC(C)N1CCc2nc(COc3ccccc3)sc2C1=O
InChIInChI=1S/C16H18N2O2S/c1-11(2)18-9-8-13-15(16(18)19)21-14(17-13)10-20-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyNGXZHBZEXOPVGR-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53247590) is 2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CC(C)N1CCc2nc(COc3ccccc3)sc2C1=O.
What is the InChIKey of 2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is NGXZHBZEXOPVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(2)18-9-8-13-15(16(18)19)21-14(17-13)10-20-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 302.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-propan-2-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53247590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).