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

C29H26N6OS — CID 121070899

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

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 121070899) has the molecular formula C29H26N6OS and a molecular weight of 506.64 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
• PubChem CID: 121070899
• Molecular Formula: C29H26N6OS
• Molecular Weight: 506.64 g/mol
• Exact Mass: 506.19
• IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)C4CCCN(c5ccc(-c6ccncc6)nn5)C4)cc3)sc2c1
• InChI: InChI=1S/C29H26N6OS/c1-19-4-9-25-26(17-19)37-29(32-25)21-5-7-23(8-6-21)31-28(36)22-3-2-16-35(18-22)27-11-10-24(33-34-27)20-12-14-30-15-13-20/h4-15,17,22H,2-3,16,18H2,1H3,(H,31,36)
• InChIKey: FUIOICOPFFLZPV-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.64
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 121070899) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide.

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

The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)C4CCCN(c5ccc(-c6ccncc6)nn5)C4)cc3)sc2c1.

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

The InChIKey is FUIOICOPFFLZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6OS/c1-19-4-9-25-26(17-19)37-29(32-25)21-5-7-23(8-6-21)31-28(36)22-3-2-16-35(18-22)27-11-10-24(33-34-27)20-12-14-30-15-13-20/h4-15,17,22H,2-3,16,18H2,1H3,(H,31,36).

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

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 506.64 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 121070899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).