N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide

C23H23N5O2S — CID 55699406

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 55699406) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
• PubChem CID: 55699406
• Molecular Formula: C23H23N5O2S
• Molecular Weight: 433.54 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
• SMILES: O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(N2CCNC2=O)c1
• InChI: InChI=1S/C23H23N5O2S/c29-21(17-7-4-8-18(13-17)28-12-10-24-23(28)30)26-22-25-19-9-11-27(15-20(19)31-22)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,24,30)(H,25,26,29)
• InChIKey: XXYSKGYNGDPOMT-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide?

The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide (CID 55699406) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide.

What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide?

The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide is O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(N2CCNC2=O)c1.

What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide?

The InChIKey is XXYSKGYNGDPOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c29-21(17-7-4-8-18(13-17)28-12-10-24-23(28)30)26-22-25-19-9-11-27(15-20(19)31-22)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,24,30)(H,25,26,29).

What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide?

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 433.54 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55699406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).