1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C20H18N4OS2 — CID 7538890

About 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 7538890) has the molecular formula C20H18N4OS2 and a molecular weight of 394.53 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
• PubChem CID: 7538890
• Molecular Formula: C20H18N4OS2
• Molecular Weight: 394.53 g/mol
• Exact Mass: 394.09
• IUPAC Name: 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
• SMILES: Cc1ccc2nc(N3CCN(C(=O)c4ccc5ncsc5c4)CC3)sc2c1
• InChI: InChI=1S/C20H18N4OS2/c1-13-2-4-16-18(10-13)27-20(22-16)24-8-6-23(7-9-24)19(25)14-3-5-15-17(11-14)26-12-21-15/h2-5,10-12H,6-9H2,1H3
• InChIKey: WYAZJBJTTKUKNL-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 49.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.53
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?

The IUPAC name of 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 7538890) is 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?

The canonical SMILES for 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is Cc1ccc2nc(N3CCN(C(=O)c4ccc5ncsc5c4)CC3)sc2c1.

What is the InChIKey of 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?

The InChIKey is WYAZJBJTTKUKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS2/c1-13-2-4-16-18(10-13)27-20(22-16)24-8-6-23(7-9-24)19(25)14-3-5-15-17(11-14)26-12-21-15/h2-5,10-12H,6-9H2,1H3.

What are the key properties of 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?

1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 394.53 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7538890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).