2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C19H17N5OS2 — CID 121083114

About 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 121083114) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
• PubChem CID: 121083114
• Molecular Formula: C19H17N5OS2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.09
• IUPAC Name: 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
• SMILES: Cc1ccc2nc(N3CCN(C(=O)c4ccc5nsnc5c4)CC3)sc2c1
• InChI: InChI=1S/C19H17N5OS2/c1-12-2-4-15-17(10-12)26-19(20-15)24-8-6-23(7-9-24)18(25)13-3-5-14-16(11-13)22-27-21-14/h2-5,10-11H,6-9H2,1H3
• InChIKey: COGIKTFVOHXBEG-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 62.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?

The IUPAC name of 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 121083114) is 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

What is the SMILES notation for 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?

The canonical SMILES for 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is Cc1ccc2nc(N3CCN(C(=O)c4ccc5nsnc5c4)CC3)sc2c1.

What is the InChIKey of 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?

The InChIKey is COGIKTFVOHXBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-12-2-4-15-17(10-12)26-19(20-15)24-8-6-23(7-9-24)18(25)13-3-5-14-16(11-13)22-27-21-14/h2-5,10-11H,6-9H2,1H3.

What are the key properties of 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?

2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,1,3-benzothiadiazol-5-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 121083114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).