N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

C24H26N4O3S2 — CID 112793373

About N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (PubChem CID 112793373) has the molecular formula C24H26N4O3S2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

Molecular Properties

• Compound Name: N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• PubChem CID: 112793373
• Molecular Formula: C24H26N4O3S2
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.14
• IUPAC Name: N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• SMILES: CCN1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N4c5ccccc5CC4C)c3)sc2C1
• InChI: InChI=1S/C24H26N4O3S2/c1-3-27-12-11-20-22(15-27)32-24(25-20)26-23(29)18-8-6-9-19(14-18)33(30,31)28-16(2)13-17-7-4-5-10-21(17)28/h4-10,14,16H,3,11-13,15H2,1-2H3,(H,25,26,29)
• InChIKey: WWSSXDIIDSQMBJ-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (CID 112793373) is N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

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

The canonical SMILES for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is CCN1CCc2nc(NC(=O)c3cccc(S(=O)(=O)N4c5ccccc5CC4C)c3)sc2C1.

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

The InChIKey is WWSSXDIIDSQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S2/c1-3-27-12-11-20-22(15-27)32-24(25-20)26-23(29)18-8-6-9-19(14-18)33(30,31)28-16(2)13-17-7-4-5-10-21(17)28/h4-10,14,16H,3,11-13,15H2,1-2H3,(H,25,26,29).

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

N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide has a molecular weight of 482.63 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 112793373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).