5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one

C21H21ClN4OS — CID 10409574

About 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 10409574) has the molecular formula C21H21ClN4OS and a molecular weight of 414.94 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one
• PubChem CID: 10409574
• Molecular Formula: C21H21ClN4OS
• Molecular Weight: 414.94 g/mol
• Exact Mass: 414.12
• IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one
• SMILES: O=C1Cc2cc(C[14CH2]N3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
• InChI: InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)/i6+2
• InChIKey: MVWVFYHBGMAFLY-ZQBYOMGUSA-N
• XLogP: 3.81
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.94
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one?

The IUPAC name of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one (CID 10409574) is 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one?

The canonical SMILES for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one is O=C1Cc2cc(C[14CH2]N3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1.

What is the InChIKey of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one?

The InChIKey is MVWVFYHBGMAFLY-ZQBYOMGUSA-N. The full InChI is InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)/i6+2.

What are the key properties of 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one?

5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 414.94 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl](214C)ethyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 10409574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).