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

C24H23NO3S — CID 16732067

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

methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 16732067) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
• PubChem CID: 16732067
• Molecular Formula: C24H23NO3S
• Molecular Weight: 405.52 g/mol
• Exact Mass: 405.14
• IUPAC Name: methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
• SMILES: COC(=O)[C@@H]1[C@@H](C)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
• InChI: InChI=1S/C24H23NO3S/c1-14-22(24(27)28-2)25-20(26)13-18(21(16-10-11-16)23(25)29-14)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,13-14,16,22H,10-12H2,1-2H3/t14-,22+/m1/s1
• InChIKey: SZHSMACEHOEENA-PEBXRYMYSA-N
• XLogP: 4.68
• TPSA: 48.30 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• 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 methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?

The IUPAC name of methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 16732067) is methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

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

The canonical SMILES for methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is COC(=O)[C@@H]1[C@@H](C)Sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21.

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

The InChIKey is SZHSMACEHOEENA-PEBXRYMYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-14-22(24(27)28-2)25-20(26)13-18(21(16-10-11-16)23(25)29-14)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,13-14,16,22H,10-12H2,1-2H3/t14-,22+/m1/s1.

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

methyl (2R,3R)-8-cyclopropyl-2-methyl-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, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 16732067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).