2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

C24H28N4O3S2 — CID 3847560

About 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3847560) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 3847560
• Molecular Formula: C24H28N4O3S2
• Molecular Weight: 484.65 g/mol
• Exact Mass: 484.16
• IUPAC Name: 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
• SMILES: COc1ccc2nc(NC(=O)c3csc(C4CCN(C(=O)C5CCCCC5)CC4)n3)sc2c1
• InChI: InChI=1S/C24H28N4O3S2/c1-31-17-7-8-18-20(13-17)33-24(26-18)27-21(29)19-14-32-22(25-19)15-9-11-28(12-10-15)23(30)16-5-3-2-4-6-16/h7-8,13-16H,2-6,9-12H2,1H3,(H,26,27,29)
• InChIKey: UBMDKIXJYMBLBW-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.65
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 3847560) is 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide is COc1ccc2nc(NC(=O)c3csc(C4CCN(C(=O)C5CCCCC5)CC4)n3)sc2c1.

What is the InChIKey of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is UBMDKIXJYMBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-31-17-7-8-18-20(13-17)33-24(26-18)27-21(29)19-14-32-22(25-19)15-9-11-28(12-10-15)23(30)16-5-3-2-4-6-16/h7-8,13-16H,2-6,9-12H2,1H3,(H,26,27,29).

What are the key properties of 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?

2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 484.65 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3847560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).