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

C19H16N4O2S2 — CID 121114690

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

1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 121114690) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 121114690
• Molecular Formula: C19H16N4O2S2
• Molecular Weight: 396.50 g/mol
• Exact Mass: 396.07
• IUPAC Name: 1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1nc2ccccc2s1)N1CCCC(c2nnc(-c3ccsc3)o2)C1
• InChI: InChI=1S/C19H16N4O2S2/c24-19(18-20-14-5-1-2-6-15(14)27-18)23-8-3-4-12(10-23)16-21-22-17(25-16)13-7-9-26-11-13/h1-2,5-7,9,11-12H,3-4,8,10H2
• InChIKey: YRCTXOMOILDPID-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 72.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.50
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 121114690) is 1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for 1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is O=C(c1nc2ccccc2s1)N1CCCC(c2nnc(-c3ccsc3)o2)C1.

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

The InChIKey is YRCTXOMOILDPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c24-19(18-20-14-5-1-2-6-15(14)27-18)23-8-3-4-12(10-23)16-21-22-17(25-16)13-7-9-26-11-13/h1-2,5-7,9,11-12H,3-4,8,10H2.

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

1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 396.50 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzothiazol-2-yl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 121114690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).