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

C29H26N2O2S — CID 123403431

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

8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 123403431) has the molecular formula C29H26N2O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• PubChem CID: 123403431
• Molecular Formula: C29H26N2O2S
• Molecular Weight: 466.61 g/mol
• Exact Mass: 466.17
• IUPAC Name: 8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• SMILES: CN(C(=O)C1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21)c1ccccc1
• InChI: InChI=1S/C29H26N2O2S/c1-30(23-11-3-2-4-12-23)28(33)25-18-34-29-27(20-14-15-20)22(17-26(32)31(25)29)16-21-10-7-9-19-8-5-6-13-24(19)21/h2-13,17,20,25H,14-16,18H2,1H3
• InChIKey: FTPRHGRQGTXMCQ-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 42.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.61
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 123403431) is 8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is CN(C(=O)C1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21)c1ccccc1.

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

The InChIKey is FTPRHGRQGTXMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2S/c1-30(23-11-3-2-4-12-23)28(33)25-18-34-29-27(20-14-15-20)22(17-26(32)31(25)29)16-21-10-7-9-19-8-5-6-13-24(19)21/h2-13,17,20,25H,14-16,18H2,1H3.

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

8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropyl-N-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123403431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).