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

C23H16LiNO3S2 — CID 70692337

IUPAClithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESO=C([O-])[C@@H]1CSc2c(-c3cccs3)c(Cc3cccc4ccccc34)cc(=O)n21.[Li+]
InChIInChI=1S/C23H17NO3S2.Li/c25-20-12-16(11-15-7-3-6-14-5-1-2-8-17(14)15)21(19-9-4-10-28-19)22-24(20)18(13-29-22)23(26)27;/h1-10,12,18H,11,13H2,(H,26,27);/q;+1/p-1/t18-;/m0./s1
InChIKeyQDZVDDKOBFBZAA-FERBBOLQSA-M
MW425.46 g/mol
LogP0.72
Rot. Bonds4

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

lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 70692337) has the molecular formula C23H16LiNO3S2 and a molecular weight of 425.46 g/mol. Its IUPAC name is lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namelithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
PubChem CID70692337
Molecular FormulaC23H16LiNO3S2
Molecular Weight425.46 g/mol
Exact Mass425.07
IUPAC Namelithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESO=C([O-])[C@@H]1CSc2c(-c3cccs3)c(Cc3cccc4ccccc34)cc(=O)n21.[Li+]
InChIInChI=1S/C23H17NO3S2.Li/c25-20-12-16(11-15-7-3-6-14-5-1-2-8-17(14)15)21(19-9-4-10-28-19)22-24(20)18(13-29-22)23(26)27;/h1-10,12,18H,11,13H2,(H,26,27);/q;+1/p-1/t18-;/m0./s1
InChIKeyQDZVDDKOBFBZAA-FERBBOLQSA-M
XLogP0.72
TPSA62.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The IUPAC name of lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 70692337) is lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.
What is the SMILES notation for lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The canonical SMILES for lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is O=C([O-])[C@@H]1CSc2c(-c3cccs3)c(Cc3cccc4ccccc34)cc(=O)n21.[Li+].
What is the InChIKey of lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The InChIKey is QDZVDDKOBFBZAA-FERBBOLQSA-M. The full InChI is InChI=1S/C23H17NO3S2.Li/c25-20-12-16(11-15-7-3-6-14-5-1-2-8-17(14)15)21(19-9-4-10-28-19)22-24(20)18(13-29-22)23(26)27;/h1-10,12,18H,11,13H2,(H,26,27);/q;+1/p-1/t18-;/m0./s1.
What are the key properties of lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate has a molecular weight of 425.46 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3R)-7-(naphthalen-1-ylmethyl)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 70692337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).