[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C20H18N4O2S2 — CID 55886502

About [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 55886502) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 55886502
• Molecular Formula: C20H18N4O2S2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.09
• IUPAC Name: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
• SMILES: Cc1noc(C2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CC2)n1
• InChI: InChI=1S/C20H18N4O2S2/c1-12-21-18(26-23-12)13-8-10-24(11-9-13)20(25)17-7-6-16(27-17)19-22-14-4-2-3-5-15(14)28-19/h2-7,13H,8-11H2,1H3
• InChIKey: GFURBERHRNVNMC-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 72.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 55886502) is [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)s3)CC2)n1.

What is the InChIKey of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is GFURBERHRNVNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-12-21-18(26-23-12)13-8-10-24(11-9-13)20(25)17-7-6-16(27-17)19-22-14-4-2-3-5-15(14)28-19/h2-7,13H,8-11H2,1H3.

What are the key properties of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?

[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 410.52 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 55886502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).