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

C27H23N3O3S — CID 121344871

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

(3R)-8-acetamido-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 121344871) has the molecular formula C27H23N3O3S and a molecular weight of 469.57 g/mol. Its IUPAC name is (3R)-8-acetamido-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-8-acetamido-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• PubChem CID: 121344871
• Molecular Formula: C27H23N3O3S
• Molecular Weight: 469.57 g/mol
• Exact Mass: 469.15
• IUPAC Name: (3R)-8-acetamido-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
• SMILES: CC(=O)Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)Nc1ccccc1
• InChI: InChI=1S/C27H23N3O3S/c1-17(31)28-25-20(14-19-10-7-9-18-8-5-6-13-22(18)19)15-24(32)30-23(16-34-27(25)30)26(33)29-21-11-3-2-4-12-21/h2-13,15,23H,14,16H2,1H3,(H,28,31)(H,29,33)/t23-/m0/s1
• InChIKey: YBTXRXNZHRVDSG-QHCPKHFHSA-N
• XLogP: 4.84
• TPSA: 80.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.57
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-8-acetamido-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 121344871) is (3R)-8-acetamido-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 (3R)-8-acetamido-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?

The canonical SMILES for (3R)-8-acetamido-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is CC(=O)Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)Nc1ccccc1.

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

The InChIKey is YBTXRXNZHRVDSG-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H23N3O3S/c1-17(31)28-25-20(14-19-10-7-9-18-8-5-6-13-22(18)19)15-24(32)30-23(16-34-27(25)30)26(33)29-21-11-3-2-4-12-21/h2-13,15,23H,14,16H2,1H3,(H,28,31)(H,29,33)/t23-/m0/s1.

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

(3R)-8-acetamido-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 469.57 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-8-acetamido-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 121344871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).