2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide

C22H28N4O2S — CID 45213936

About 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide

2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 45213936) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
• PubChem CID: 45213936
• Molecular Formula: C22H28N4O2S
• Molecular Weight: 412.56 g/mol
• Exact Mass: 412.19
• IUPAC Name: 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
• SMILES: Cc1nc(CCNC(=O)CC2C(=O)NCCN2C2Cc3ccccc3C2)sc1C
• InChI: InChI=1S/C22H28N4O2S/c1-14-15(2)29-21(25-14)7-8-23-20(27)13-19-22(28)24-9-10-26(19)18-11-16-5-3-4-6-17(16)12-18/h3-6,18-19H,7-13H2,1-2H3,(H,23,27)(H,24,28)
• InChIKey: ILTIJXHBRILEOJ-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.56
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?

The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 45213936) is 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?

The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CC2C(=O)NCCN2C2Cc3ccccc3C2)sc1C.

What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?

The InChIKey is ILTIJXHBRILEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-14-15(2)29-21(25-14)7-8-23-20(27)13-19-22(28)24-9-10-26(19)18-11-16-5-3-4-6-17(16)12-18/h3-6,18-19H,7-13H2,1-2H3,(H,23,27)(H,24,28).

What are the key properties of 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide?

2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 412.56 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 45213936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).