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

C24H22N4O2S — CID 35799271

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide (PubChem CID 35799271) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide.

Molecular Properties

• Compound Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide
• PubChem CID: 35799271
• Molecular Formula: C24H22N4O2S
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.15
• IUPAC Name: N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide
• SMILES: COc1ccc2nc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)ccc2c1
• InChI: InChI=1S/C24H22N4O2S/c1-30-18-8-10-19-17(13-18)7-9-21(25-19)23(29)27-24-26-20-11-12-28(15-22(20)31-24)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14-15H2,1H3,(H,26,27,29)
• InChIKey: YQVWMRQJEZUMGU-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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)-6-methoxyquinoline-2-carboxamide?

The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide (CID 35799271) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide.

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

The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)ccc2c1.

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

The InChIKey is YQVWMRQJEZUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-30-18-8-10-19-17(13-18)7-9-21(25-19)23(29)27-24-26-20-11-12-28(15-22(20)31-24)14-16-5-3-2-4-6-16/h2-10,13H,11-12,14-15H2,1H3,(H,26,27,29).

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

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-methoxyquinoline-2-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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)-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 35799271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).