2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide

C25H43N5O4S — CID 66839641

About 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide

2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 66839641) has the molecular formula C25H43N5O4S and a molecular weight of 509.72 g/mol. Its IUPAC name is 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 66839641
• Molecular Formula: C25H43N5O4S
• Molecular Weight: 509.72 g/mol
• Exact Mass: 509.30
• IUPAC Name: 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide
• SMILES: CCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(C)C(CC(O)c1nc(C(=O)NC)cs1)C(C)C
• InChI: InChI=1S/C25H43N5O4S/c1-8-16(4)21(28-23(33)18-11-9-10-12-29(18)6)25(34)30(7)19(15(2)3)13-20(31)24-27-17(14-35-24)22(32)26-5/h14-16,18-21,31H,8-13H2,1-7H3,(H,26,32)(H,28,33)
• InChIKey: BOKURDBZVIVZGH-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 114.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.72
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 66839641) is 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide is CCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(C)C(CC(O)c1nc(C(=O)NC)cs1)C(C)C.

What is the InChIKey of 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is BOKURDBZVIVZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O4S/c1-8-16(4)21(28-23(33)18-11-9-10-12-29(18)6)25(34)30(7)19(15(2)3)13-20(31)24-27-17(14-35-24)22(32)26-5/h14-16,18-21,31H,8-13H2,1-7H3,(H,26,32)(H,28,33).

What are the key properties of 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide?

2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 509.72 g/mol, XLogP of 2.42, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66839641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).