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

C17H18N4O2S — CID 16953782

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

[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 16953782) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
• PubChem CID: 16953782
• Molecular Formula: C17H18N4O2S
• Molecular Weight: 342.42 g/mol
• Exact Mass: 342.12
• IUPAC Name: [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
• SMILES: Cc1ccc2nc(N3CCN(C(=O)c4cc(C)on4)CC3)sc2c1
• InChI: InChI=1S/C17H18N4O2S/c1-11-3-4-13-15(9-11)24-17(18-13)21-7-5-20(6-8-21)16(22)14-10-12(2)23-19-14/h3-4,9-10H,5-8H2,1-2H3
• InChIKey: BZPXNDDZRDJHJM-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 62.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.42
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 16953782) is [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

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

The canonical SMILES for [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1ccc2nc(N3CCN(C(=O)c4cc(C)on4)CC3)sc2c1.

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

The InChIKey is BZPXNDDZRDJHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-3-4-13-15(9-11)24-17(18-13)21-7-5-20(6-8-21)16(22)14-10-12(2)23-19-14/h3-4,9-10H,5-8H2,1-2H3.

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

[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 16953782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).