2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

C20H28N10O3S — CID 10345392

About 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 10345392) has the molecular formula C20H28N10O3S and a molecular weight of 488.58 g/mol. Its IUPAC name is 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 10345392
• Molecular Formula: C20H28N10O3S
• Molecular Weight: 488.58 g/mol
• Exact Mass: 488.21
• IUPAC Name: 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(N)sc1C(=O)Nc1cn(C)c(C(=O)Nc2cn(C)c(C(=O)NCCCN(C)C)n2)n1
• InChI: InChI=1S/C20H28N10O3S/c1-11-14(34-20(21)23-11)17(31)26-12-9-30(5)16(25-12)19(33)27-13-10-29(4)15(24-13)18(32)22-7-6-8-28(2)3/h9-10H,6-8H2,1-5H3,(H2,21,23)(H,22,32)(H,26,31)(H,27,33)
• InChIKey: KPNDRCCNCOKBPS-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 165.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.58
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 10345392) is 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1cn(C)c(C(=O)Nc2cn(C)c(C(=O)NCCCN(C)C)n2)n1.

What is the InChIKey of 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is KPNDRCCNCOKBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N10O3S/c1-11-14(34-20(21)23-11)17(31)26-12-9-30(5)16(25-12)19(33)27-13-10-29(4)15(24-13)18(32)22-7-6-8-28(2)3/h9-10H,6-8H2,1-5H3,(H2,21,23)(H,22,32)(H,26,31)(H,27,33).

What are the key properties of 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide?

2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 488.58 g/mol, XLogP of 0.69, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-[[2-[3-(dimethylamino)propylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 10345392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).