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

C29H26N2O3S — CID 86344926

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

(3R)-8-cyclopropyl-N-(3-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 86344926) has the molecular formula C29H26N2O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is (3R)-8-cyclopropyl-N-(3-methoxyphenyl)-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-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• PubChem CID: 86344926
• Molecular Formula: C29H26N2O3S
• Molecular Weight: 482.61 g/mol
• Exact Mass: 482.17
• IUPAC Name: (3R)-8-cyclopropyl-N-(3-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• SMILES: COc1cccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1
• InChI: InChI=1S/C29H26N2O3S/c1-34-23-10-5-9-22(16-23)30-28(33)25-17-35-29-27(19-12-13-19)21(15-26(32)31(25)29)14-20-8-4-7-18-6-2-3-11-24(18)20/h2-11,15-16,19,25H,12-14,17H2,1H3,(H,30,33)/t25-/m0/s1
• InChIKey: DOHZVSHLLSPVBC-VWLOTQADSA-N
• XLogP: 5.76
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.61
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropyl-N-(3-methoxyphenyl)-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-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 86344926) is (3R)-8-cyclopropyl-N-(3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is COc1cccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1.

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

The InChIKey is DOHZVSHLLSPVBC-VWLOTQADSA-N. The full InChI is InChI=1S/C29H26N2O3S/c1-34-23-10-5-9-22(16-23)30-28(33)25-17-35-29-27(19-12-13-19)21(15-26(32)31(25)29)14-20-8-4-7-18-6-2-3-11-24(18)20/h2-11,15-16,19,25H,12-14,17H2,1H3,(H,30,33)/t25-/m0/s1.

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

(3R)-8-cyclopropyl-N-(3-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-8-cyclopropyl-N-(3-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86344926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).