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

C28H25N5OS2 — CID 30364184

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

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30364184) has the molecular formula C28H25N5OS2 and a molecular weight of 511.68 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
• PubChem CID: 30364184
• Molecular Formula: C28H25N5OS2
• Molecular Weight: 511.68 g/mol
• Exact Mass: 511.15
• IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(c5ccc(-c6cccs6)nn5)CC4)cc3)sc2c1
• InChI: InChI=1S/C28H25N5OS2/c1-18-4-9-22-25(17-18)36-28(30-22)20-5-7-21(8-6-20)29-27(34)19-12-14-33(15-13-19)26-11-10-23(31-32-26)24-3-2-16-35-24/h2-11,16-17,19H,12-15H2,1H3,(H,29,34)
• InChIKey: YFNAAGPHPIVGMR-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.68
LogP ≤ 5	6.65
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-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?

The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30364184) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide.

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

The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(c5ccc(-c6cccs6)nn5)CC4)cc3)sc2c1.

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

The InChIKey is YFNAAGPHPIVGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5OS2/c1-18-4-9-22-25(17-18)36-28(30-22)20-5-7-21(8-6-20)29-27(34)19-12-14-33(15-13-19)26-11-10-23(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 N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide?

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 511.68 g/mol, XLogP of 6.65, 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-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30364184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).