2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide

C21H21N3O2S2 — CID 4156356

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 4156356) has the molecular formula C21H21N3O2S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

• Compound Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
• PubChem CID: 4156356
• Molecular Formula: C21H21N3O2S2
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.11
• IUPAC Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
• SMILES: CCn1/c(=N/C(=O)CSCC(=O)N2CCc3ccccc32)sc2ccccc21
• InChI: InChI=1S/C21H21N3O2S2/c1-2-23-17-9-5-6-10-18(17)28-21(23)22-19(25)13-27-14-20(26)24-12-11-15-7-3-4-8-16(15)24/h3-10H,2,11-14H2,1H3/b22-21-
• InChIKey: AJEVOIXANDXXTL-DQRAZIAOSA-N
• XLogP: 3.47
• TPSA: 54.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?

The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 4156356) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide.

What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?

The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide is CCn1/c(=N/C(=O)CSCC(=O)N2CCc3ccccc32)sc2ccccc21.

What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?

The InChIKey is AJEVOIXANDXXTL-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H21N3O2S2/c1-2-23-17-9-5-6-10-18(17)28-21(23)22-19(25)13-27-14-20(26)24-12-11-15-7-3-4-8-16(15)24/h3-10H,2,11-14H2,1H3/b22-21-.

What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 4156356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).