1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C27H27N5O2S — CID 55816454

About 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 55816454) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
• PubChem CID: 55816454
• Molecular Formula: C27H27N5O2S
• Molecular Weight: 485.61 g/mol
• Exact Mass: 485.19
• IUPAC Name: 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide
• SMILES: Cc1ccc2nc(-c3ccc(NC(=O)CN4CCC(C(=O)Nc5ccccn5)CC4)cc3)sc2c1
• InChI: InChI=1S/C27H27N5O2S/c1-18-5-10-22-23(16-18)35-27(30-22)20-6-8-21(9-7-20)29-25(33)17-32-14-11-19(12-15-32)26(34)31-24-4-2-3-13-28-24/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,29,33)(H,28,31,34)
• InChIKey: ILVGRNVDCOWNQQ-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.61
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 55816454) is 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

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

The canonical SMILES for 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)CN4CCC(C(=O)Nc5ccccn5)CC4)cc3)sc2c1.

What is the InChIKey of 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide?

The InChIKey is ILVGRNVDCOWNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c1-18-5-10-22-23(16-18)35-27(30-22)20-6-8-21(9-7-20)29-25(33)17-32-14-11-19(12-15-32)26(34)31-24-4-2-3-13-28-24/h2-10,13,16,19H,11-12,14-15,17H2,1H3,(H,29,33)(H,28,31,34).

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

1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 485.61 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55816454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).