[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone

C24H20N2O4S — CID 41218496

About [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone

[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone (PubChem CID 41218496) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 41218496
• Molecular Formula: C24H20N2O4S
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.11
• IUPAC Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C24H20N2O4S/c27-24(20-10-9-19(30-20)23-25-16-4-1-2-6-22(16)31-23)26-11-3-5-17(26)15-7-8-18-21(14-15)29-13-12-28-18/h1-2,4,6-10,14,17H,3,5,11-13H2/t17-/m0/s1
• InChIKey: IPTHQLKJPNXHDL-KRWDZBQOSA-N
• XLogP: 5.30
• TPSA: 64.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	5.30
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)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone (CID 41218496) is [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2.

What is the InChIKey of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone?

The InChIKey is IPTHQLKJPNXHDL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H20N2O4S/c27-24(20-10-9-19(30-20)23-25-16-4-1-2-6-22(16)31-23)26-11-3-5-17(26)15-7-8-18-21(14-15)29-13-12-28-18/h1-2,4,6-10,14,17H,3,5,11-13H2/t17-/m0/s1.

What are the key properties of [5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone?

[5-(1,3-benzothiazol-2-yl)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone has a molecular weight of 432.50 g/mol, XLogP of 5.30, 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)furan-2-yl]-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 41218496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).