N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide

C24H20N4O2S3 — CID 23994346

About N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide

N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide (PubChem CID 23994346) has the molecular formula C24H20N4O2S3 and a molecular weight of 492.65 g/mol. Its IUPAC name is N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

• Compound Name: N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide
• PubChem CID: 23994346
• Molecular Formula: C24H20N4O2S3
• Molecular Weight: 492.65 g/mol
• Exact Mass: 492.07
• IUPAC Name: N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide
• SMILES: O=C(CSc1ccccn1)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1
• InChI: InChI=1S/C24H20N4O2S3/c29-21(14-31-22-7-3-4-11-25-22)26-17-8-9-18-20(13-17)33-24(27-18)32-15-23(30)28-12-10-16-5-1-2-6-19(16)28/h1-9,11,13H,10,12,14-15H2,(H,26,29)
• InChIKey: YCGLIXWFHQQIFK-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.65
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide?

The IUPAC name of N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide (CID 23994346) is N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide.

What is the SMILES notation for N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide?

The canonical SMILES for N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1.

What is the InChIKey of N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide?

The InChIKey is YCGLIXWFHQQIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S3/c29-21(14-31-22-7-3-4-11-25-22)26-17-8-9-18-20(13-17)33-24(27-18)32-15-23(30)28-12-10-16-5-1-2-6-19(16)28/h1-9,11,13H,10,12,14-15H2,(H,26,29).

What are the key properties of N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide?

N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 492.65 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 23994346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).