[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone

C20H17N3O2S2 — CID 36703236

About [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 36703236) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

• Compound Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
• PubChem CID: 36703236
• Molecular Formula: C20H17N3O2S2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.08
• IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
• SMILES: O=C(c1csc(-c2ccco2)n1)N1CCC(c2nc3ccccc3s2)CC1
• InChI: InChI=1S/C20H17N3O2S2/c24-20(15-12-26-19(22-15)16-5-3-11-25-16)23-9-7-13(8-10-23)18-21-14-4-1-2-6-17(14)27-18/h1-6,11-13H,7-10H2
• InChIKey: UIEXVXICOGCLJU-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 59.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone (CID 36703236) is [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone.

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

The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccco2)n1)N1CCC(c2nc3ccccc3s2)CC1.

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

The InChIKey is UIEXVXICOGCLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c24-20(15-12-26-19(22-15)16-5-3-11-25-16)23-9-7-13(8-10-23)18-21-14-4-1-2-6-17(14)27-18/h1-6,11-13H,7-10H2.

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

[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 36703236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).