lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

C28H25LiN2O3S — CID 23690270

IUPAClithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCN(C)Cc1c(Cc2cccc3ccccc23)c(-c2ccccc2)c2n(c1=O)[C@H](C(=O)[O-])CS2.[Li+]
InChIInChI=1S/C28H26N2O3S.Li/c1-29(2)16-23-22(15-20-13-8-12-18-9-6-7-14-21(18)20)25(19-10-4-3-5-11-19)27-30(26(23)31)24(17-34-27)28(32)33;/h3-14,24H,15-17H2,1-2H3,(H,32,33);/q;+1/p-1/t24-;/m0./s1
InChIKeyLOYDIJIOGZAITN-JIDHJSLPSA-M
MW476.53 g/mol
LogP0.72
Rot. Bonds6

About lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 23690270) has the molecular formula C28H25LiN2O3S and a molecular weight of 476.53 g/mol. Its IUPAC name is lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namelithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
PubChem CID23690270
Molecular FormulaC28H25LiN2O3S
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Namelithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCN(C)Cc1c(Cc2cccc3ccccc23)c(-c2ccccc2)c2n(c1=O)[C@H](C(=O)[O-])CS2.[Li+]
InChIInChI=1S/C28H26N2O3S.Li/c1-29(2)16-23-22(15-20-13-8-12-18-9-6-7-14-21(18)20)25(19-10-4-3-5-11-19)27-30(26(23)31)24(17-34-27)28(32)33;/h3-14,24H,15-17H2,1-2H3,(H,32,33);/q;+1/p-1/t24-;/m0./s1
InChIKeyLOYDIJIOGZAITN-JIDHJSLPSA-M
XLogP0.72
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-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)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The IUPAC name of lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 23690270) is lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.
What is the SMILES notation for lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The canonical SMILES for lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is CN(C)Cc1c(Cc2cccc3ccccc23)c(-c2ccccc2)c2n(c1=O)[C@H](C(=O)[O-])CS2.[Li+].
What is the InChIKey of lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The InChIKey is LOYDIJIOGZAITN-JIDHJSLPSA-M. The full InChI is InChI=1S/C28H26N2O3S.Li/c1-29(2)16-23-22(15-20-13-8-12-18-9-6-7-14-21(18)20)25(19-10-4-3-5-11-19)27-30(26(23)31)24(17-34-27)28(32)33;/h3-14,24H,15-17H2,1-2H3,(H,32,33);/q;+1/p-1/t24-;/m0./s1.
What are the key properties of lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate has a molecular weight of 476.53 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (3R)-6-[(dimethylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-8-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 23690270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).