lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

C26H18LiNO6S — CID 70681772

IUPAClithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESO=C([O-])[C@@H]1CSc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc34)cc(=O)n21.[Li+]
InChIInChI=1S/C26H19NO6S.Li/c28-23-11-17(12-31-20-7-3-5-15-4-1-2-6-18(15)20)24(25-27(23)19(13-34-25)26(29)30)16-8-9-21-22(10-16)33-14-32-21;/h1-11,19H,12-14H2,(H,29,30);/q;+1/p-1/t19-;/m0./s1
InChIKeyYQQFWHZGFLOZEU-FYZYNONXSA-M
MW479.44 g/mol
LogP0.38
Rot. Bonds5

About lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 70681772) has the molecular formula C26H18LiNO6S and a molecular weight of 479.44 g/mol. Its IUPAC name is lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namelithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
PubChem CID70681772
Molecular FormulaC26H18LiNO6S
Molecular Weight479.44 g/mol
Exact Mass479.10
IUPAC Namelithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESO=C([O-])[C@@H]1CSc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc34)cc(=O)n21.[Li+]
InChIInChI=1S/C26H19NO6S.Li/c28-23-11-17(12-31-20-7-3-5-15-4-1-2-6-18(15)20)24(25-27(23)19(13-34-25)26(29)30)16-8-9-21-22(10-16)33-14-32-21;/h1-11,19H,12-14H2,(H,29,30);/q;+1/p-1/t19-;/m0./s1
InChIKeyYQQFWHZGFLOZEU-FYZYNONXSA-M
XLogP0.38
TPSA89.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The IUPAC name of lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 70681772) is lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.
What is the SMILES notation for lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The canonical SMILES for lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is O=C([O-])[C@@H]1CSc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc34)cc(=O)n21.[Li+].
What is the InChIKey of lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The InChIKey is YQQFWHZGFLOZEU-FYZYNONXSA-M. The full InChI is InChI=1S/C26H19NO6S.Li/c28-23-11-17(12-31-20-7-3-5-15-4-1-2-6-18(15)20)24(25-27(23)19(13-34-25)26(29)30)16-8-9-21-22(10-16)33-14-32-21;/h1-11,19H,12-14H2,(H,29,30);/q;+1/p-1/t19-;/m0./s1.
What are the key properties of lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate has a molecular weight of 479.44 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3R)-8-(1,3-benzodioxol-5-yl)-7-(naphthalen-1-yloxymethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 70681772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).