methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate

C27H23N3O4S — CID 155521987

About methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate

methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate (PubChem CID 155521987) has the molecular formula C27H23N3O4S and a molecular weight of 485.57 g/mol. Its IUPAC name is methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate
• PubChem CID: 155521987
• Molecular Formula: C27H23N3O4S
• Molecular Weight: 485.57 g/mol
• Exact Mass: 485.14
• IUPAC Name: methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate
• SMILES: COC(=O)Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SCC2C(=O)Nc1ccccc1
• InChI: InChI=1S/C27H23N3O4S/c1-34-27(33)29-24-19(14-18-10-7-9-17-8-5-6-13-21(17)18)15-23(31)30-22(16-35-26(24)30)25(32)28-20-11-3-2-4-12-20/h2-13,15,22H,14,16H2,1H3,(H,28,32)(H,29,33)
• InChIKey: KURAJXHBDUDMSV-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 89.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.57
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate?

The IUPAC name of methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate (CID 155521987) is methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate.

What is the SMILES notation for methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate?

The canonical SMILES for methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate is COC(=O)Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SCC2C(=O)Nc1ccccc1.

What is the InChIKey of methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate?

The InChIKey is KURAJXHBDUDMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4S/c1-34-27(33)29-24-19(14-18-10-7-9-17-8-5-6-13-21(17)18)15-23(31)30-22(16-35-26(24)30)25(32)28-20-11-3-2-4-12-20/h2-13,15,22H,14,16H2,1H3,(H,28,32)(H,29,33).

What are the key properties of methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate?

methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate has a molecular weight of 485.57 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate is sourced from PubChem (CID 155521987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).