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

C24H19N3O2S2 — CID 31187508

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

[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone (PubChem CID 31187508) has the molecular formula C24H19N3O2S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 31187508
• Molecular Formula: C24H19N3O2S2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.09
• IUPAC Name: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCC(c2nc3ccccc3o2)CC1
• InChI: InChI=1S/C24H19N3O2S2/c28-24(21-10-9-20(30-21)23-26-17-6-2-4-8-19(17)31-23)27-13-11-15(12-14-27)22-25-16-5-1-3-7-18(16)29-22/h1-10,15H,11-14H2
• InChIKey: MMKHOJCHMBVVGZ-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 59.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone (CID 31187508) is [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCC(c2nc3ccccc3o2)CC1.

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

The InChIKey is MMKHOJCHMBVVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S2/c28-24(21-10-9-20(30-21)23-26-17-6-2-4-8-19(17)31-23)27-13-11-15(12-14-27)22-25-16-5-1-3-7-18(16)29-22/h1-10,15H,11-14H2.

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

[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 445.57 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 31187508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).