N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide

C26H28N4O2S — CID 91069215

About N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 91069215) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide
• PubChem CID: 91069215
• Molecular Formula: C26H28N4O2S
• Molecular Weight: 460.60 g/mol
• Exact Mass: 460.19
• IUPAC Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2ccccc2CCN2CCN(c3nsc4ccccc34)CC2)c(C)o1
• InChI: InChI=1S/C26H28N4O2S/c1-18-17-22(19(2)32-18)26(31)27-23-9-5-3-7-20(23)11-12-29-13-15-30(16-14-29)25-21-8-4-6-10-24(21)33-28-25/h3-10,17H,11-16H2,1-2H3,(H,27,31)
• InChIKey: LLNXYRGTNJKTIV-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.60
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide?

The IUPAC name of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide (CID 91069215) is N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide.

What is the SMILES notation for N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide?

The canonical SMILES for N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2CCN2CCN(c3nsc4ccccc34)CC2)c(C)o1.

What is the InChIKey of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide?

The InChIKey is LLNXYRGTNJKTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-18-17-22(19(2)32-18)26(31)27-23-9-5-3-7-20(23)11-12-29-13-15-30(16-14-29)25-21-8-4-6-10-24(21)33-28-25/h3-10,17H,11-16H2,1-2H3,(H,27,31).

What are the key properties of N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide?

N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 91069215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).