1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one

C19H20N2O2S — CID 25388512

About 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one

1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one (PubChem CID 25388512) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
• PubChem CID: 25388512
• Molecular Formula: C19H20N2O2S
• Molecular Weight: 340.45 g/mol
• Exact Mass: 340.12
• IUPAC Name: 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
• SMILES: O=C(CCc1ccco1)N1CCCC[C@@H]1c1nc2ccccc2s1
• InChI: InChI=1S/C19H20N2O2S/c22-18(11-10-14-6-5-13-23-14)21-12-4-3-8-16(21)19-20-15-7-1-2-9-17(15)24-19/h1-2,5-7,9,13,16H,3-4,8,10-12H2/t16-/m1/s1
• InChIKey: CYJPMBSAPHBZKZ-MRXNPFEDSA-N
• XLogP: 4.58
• TPSA: 46.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.45
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one?

The IUPAC name of 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one (CID 25388512) is 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one.

What is the SMILES notation for 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one?

The canonical SMILES for 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one is O=C(CCc1ccco1)N1CCCC[C@@H]1c1nc2ccccc2s1.

What is the InChIKey of 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one?

The InChIKey is CYJPMBSAPHBZKZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(11-10-14-6-5-13-23-14)21-12-4-3-8-16(21)19-20-15-7-1-2-9-17(15)24-19/h1-2,5-7,9,13,16H,3-4,8,10-12H2/t16-/m1/s1.

What are the key properties of 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one?

1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one has a molecular weight of 340.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one is sourced from PubChem (CID 25388512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).