[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride

C20H21Cl2N5O2S — CID 120878469

About [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride

[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120878469) has the molecular formula C20H21Cl2N5O2S and a molecular weight of 466.39 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

• Compound Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
• PubChem CID: 120878469
• Molecular Formula: C20H21Cl2N5O2S
• Molecular Weight: 466.39 g/mol
• Exact Mass: 465.08
• IUPAC Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
• SMILES: Cl.Cl.Cn1ccnc1C1CNCCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1
• InChI: InChI=1S/C20H19N5O2S.2ClH/c1-24-10-9-22-18(24)14-12-21-8-11-25(14)20(26)16-7-6-15(27-16)19-23-13-4-2-3-5-17(13)28-19;;/h2-7,9-10,14,21H,8,11-12H2,1H3;2*1H
• InChIKey: OASPTZOAVHBVBN-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.39
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride?

The IUPAC name of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride (CID 120878469) is [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride.

What is the SMILES notation for [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride?

The canonical SMILES for [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.Cn1ccnc1C1CNCCN1C(=O)c1ccc(-c2nc3ccccc3s2)o1.

What is the InChIKey of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride?

The InChIKey is OASPTZOAVHBVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S.2ClH/c1-24-10-9-22-18(24)14-12-21-8-11-25(14)20(26)16-7-6-15(27-16)19-23-13-4-2-3-5-17(13)28-19;;/h2-7,9-10,14,21H,8,11-12H2,1H3;2*1H.

What are the key properties of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride?

[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 466.39 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120878469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).