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

C30H28N2O2S — CID 86345112

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

(3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 86345112) has the molecular formula C30H28N2O2S and a molecular weight of 480.63 g/mol. Its IUPAC name is (3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• PubChem CID: 86345112
• Molecular Formula: C30H28N2O2S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.19
• IUPAC Name: (3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• SMILES: CCc1cccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1
• InChI: InChI=1S/C30H28N2O2S/c1-2-19-7-5-11-24(15-19)31-29(34)26-18-35-30-28(21-13-14-21)23(17-27(33)32(26)30)16-22-10-6-9-20-8-3-4-12-25(20)22/h3-12,15,17,21,26H,2,13-14,16,18H2,1H3,(H,31,34)/t26-/m0/s1
• InChIKey: CAPBDRAYVAWVRM-SANMLTNESA-N
• XLogP: 6.32
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 86345112) is (3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for (3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is CCc1cccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1.

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

The InChIKey is CAPBDRAYVAWVRM-SANMLTNESA-N. The full InChI is InChI=1S/C30H28N2O2S/c1-2-19-7-5-11-24(15-19)31-29(34)26-18-35-30-28(21-13-14-21)23(17-27(33)32(26)30)16-22-10-6-9-20-8-3-4-12-25(20)22/h3-12,15,17,21,26H,2,13-14,16,18H2,1H3,(H,31,34)/t26-/m0/s1.

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

(3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86345112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).