1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

C20H26N4OS — CID 133485840

About 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 133485840) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
• PubChem CID: 133485840
• Molecular Formula: C20H26N4OS
• Molecular Weight: 370.52 g/mol
• Exact Mass: 370.18
• IUPAC Name: 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
• SMILES: CC(C)Cc1nsc(N2CC(CCN3CCCC3=O)c3ccccc32)n1
• InChI: InChI=1S/C20H26N4OS/c1-14(2)12-18-21-20(26-22-18)24-13-15(16-6-3-4-7-17(16)24)9-11-23-10-5-8-19(23)25/h3-4,6-7,14-15H,5,8-13H2,1-2H3
• InChIKey: AEHRASABNQSHGT-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 49.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.52
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (CID 133485840) is 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is CC(C)Cc1nsc(N2CC(CCN3CCCC3=O)c3ccccc32)n1.

What is the InChIKey of 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

The InChIKey is AEHRASABNQSHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-14(2)12-18-21-20(26-22-18)24-13-15(16-6-3-4-7-17(16)24)9-11-23-10-5-8-19(23)25/h3-4,6-7,14-15H,5,8-13H2,1-2H3.

What are the key properties of 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 370.52 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 133485840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).