2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

C26H24N8O4S2 — CID 25069930

About 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 25069930) has the molecular formula C26H24N8O4S2 and a molecular weight of 576.66 g/mol. Its IUPAC name is 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 25069930
• Molecular Formula: C26H24N8O4S2
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.14
• IUPAC Name: 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
• SMILES: COc1nc(OC)nc(N2CCC(c3nc(C(=O)Nc4nc5ccc(C(=O)c6ccsc6)cc5[nH]4)cs3)CC2)n1
• InChI: InChI=1S/C26H24N8O4S2/c1-37-25-31-24(32-26(33-25)38-2)34-8-5-14(6-9-34)22-27-19(13-40-22)21(36)30-23-28-17-4-3-15(11-18(17)29-23)20(35)16-7-10-39-12-16/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H2,28,29,30,36)
• InChIKey: UCHFWSJIIHGGQJ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 148.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (CID 25069930) is 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is COc1nc(OC)nc(N2CCC(c3nc(C(=O)Nc4nc5ccc(C(=O)c6ccsc6)cc5[nH]4)cs3)CC2)n1.

What is the InChIKey of 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is UCHFWSJIIHGGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O4S2/c1-37-25-31-24(32-26(33-25)38-2)34-8-5-14(6-9-34)22-27-19(13-40-22)21(36)30-23-28-17-4-3-15(11-18(17)29-23)20(35)16-7-10-39-12-16/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H2,28,29,30,36).

What are the key properties of 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 576.66 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N-[6-(thiophene-3-carbonyl)-1H-benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25069930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).