1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide

C28H25N5O2S — CID 30364587

About 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide

1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 30364587) has the molecular formula C28H25N5O2S and a molecular weight of 495.61 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
• PubChem CID: 30364587
• Molecular Formula: C28H25N5O2S
• Molecular Weight: 495.61 g/mol
• Exact Mass: 495.17
• IUPAC Name: 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(c5ccc(-c6ccco6)nn5)CC4)cc3)sc2c1
• InChI: InChI=1S/C28H25N5O2S/c1-18-4-9-23-25(17-18)36-28(30-23)20-5-7-21(8-6-20)29-27(34)19-12-14-33(15-13-19)26-11-10-22(31-32-26)24-3-2-16-35-24/h2-11,16-17,19H,12-15H2,1H3,(H,29,34)
• InChIKey: ZIPYMBHUCDXCJU-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.61
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide (CID 30364587) is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(c5ccc(-c6ccco6)nn5)CC4)cc3)sc2c1.

What is the InChIKey of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide?

The InChIKey is ZIPYMBHUCDXCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2S/c1-18-4-9-23-25(17-18)36-28(30-23)20-5-7-21(8-6-20)29-27(34)19-12-14-33(15-13-19)26-11-10-22(31-32-26)24-3-2-16-35-24/h2-11,16-17,19H,12-15H2,1H3,(H,29,34).

What are the key properties of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide?

1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 30364587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).