N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide

C24H28N4OS — CID 11384634

About N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide

N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 11384634) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide
• PubChem CID: 11384634
• Molecular Formula: C24H28N4OS
• Molecular Weight: 420.58 g/mol
• Exact Mass: 420.20
• IUPAC Name: N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide
• SMILES: CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21
• InChI: InChI=1S/C24H28N4OS/c1-17(29)25-22-9-8-19-7-6-18(16-21(19)22)10-11-27-12-14-28(15-13-27)24-20-4-2-3-5-23(20)30-26-24/h2-7,16,22H,8-15H2,1H3,(H,25,29)
• InChIKey: ACZCVZUKGWGYJX-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.58
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide?

The IUPAC name of N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide (CID 11384634) is N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide.

What is the SMILES notation for N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide?

The canonical SMILES for N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21.

What is the InChIKey of N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide?

The InChIKey is ACZCVZUKGWGYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-17(29)25-22-9-8-19-7-6-18(16-21(19)22)10-11-27-12-14-28(15-13-27)24-20-4-2-3-5-23(20)30-26-24/h2-7,16,22H,8-15H2,1H3,(H,25,29).

What are the key properties of N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide?

N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 420.58 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 11384634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).