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

C28H22N2O2S — CID 86280664

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

8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 86280664) has the molecular formula C28H22N2O2S and a molecular weight of 450.56 g/mol. Its IUPAC name is 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• PubChem CID: 86280664
• Molecular Formula: C28H22N2O2S
• Molecular Weight: 450.56 g/mol
• Exact Mass: 450.14
• IUPAC Name: 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• SMILES: O=C(Nc1ccccc1)c1csc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12
• InChI: InChI=1S/C28H22N2O2S/c31-25-16-21(15-20-9-6-8-18-7-4-5-12-23(18)20)26(19-13-14-19)28-30(25)24(17-33-28)27(32)29-22-10-2-1-3-11-22/h1-12,16-17,19H,13-15H2,(H,29,32)
• InChIKey: TYPJPKPPPMYZMM-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 50.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.56
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 86280664) is 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is O=C(Nc1ccccc1)c1csc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12.

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

The InChIKey is TYPJPKPPPMYZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2S/c31-25-16-21(15-20-9-6-8-18-7-4-5-12-23(18)20)26(19-13-14-19)28-30(25)24(17-33-28)27(32)29-22-10-2-1-3-11-22/h1-12,16-17,19H,13-15H2,(H,29,32).

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

8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86280664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).