ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

C24H23NO3S — CID 144746410

About ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 144746410) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
• PubChem CID: 144746410
• Molecular Formula: C24H23NO3S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.14
• IUPAC Name: ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
• SMILES: CCOC(=O)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
• InChI: InChI=1S/C24H23NO3S/c1-2-28-24(27)20-14-29-23-22(16-10-11-16)18(13-21(26)25(20)23)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,13,16,20H,2,10-12,14H2,1H3/t20-/m1/s1
• InChIKey: YJGNJSNBPZUHCR-HXUWFJFHSA-N
• XLogP: 4.68
• TPSA: 48.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.52
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?

The IUPAC name of ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 144746410) is ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

What is the SMILES notation for ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?

The canonical SMILES for ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is CCOC(=O)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21.

What is the InChIKey of ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?

The InChIKey is YJGNJSNBPZUHCR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-2-28-24(27)20-14-29-23-22(16-10-11-16)18(13-21(26)25(20)23)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,13,16,20H,2,10-12,14H2,1H3/t20-/m1/s1.

What are the key properties of ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?

ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate has a molecular weight of 405.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 144746410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).