N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide

C26H43N5O5S — CID 122193415

About N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide

N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 122193415) has the molecular formula C26H43N5O5S and a molecular weight of 537.73 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 122193415
• Molecular Formula: C26H43N5O5S
• Molecular Weight: 537.73 g/mol
• Exact Mass: 537.30
• IUPAC Name: N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H]1CCO[C@@H](c2nc(C(=O)NCCOC)cs2)C1
• InChI: InChI=1S/C26H43N5O5S/c1-6-17(2)22(29-24(33)20-9-7-8-12-30(20)3)26(34)31(4)18-10-13-36-21(15-18)25-28-19(16-37-25)23(32)27-11-14-35-5/h16-18,20-22H,6-15H2,1-5H3,(H,27,32)(H,29,33)/t17-,18-,20+,21+,22-/m0/s1
• InChIKey: GTNXVXTVSAOICN-HJWIKWMHSA-N
• XLogP: 2.21
• TPSA: 113.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.73
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide (CID 122193415) is N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide is CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H]1CCO[C@@H](c2nc(C(=O)NCCOC)cs2)C1.

What is the InChIKey of N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is GTNXVXTVSAOICN-HJWIKWMHSA-N. The full InChI is InChI=1S/C26H43N5O5S/c1-6-17(2)22(29-24(33)20-9-7-8-12-30(20)3)26(34)31(4)18-10-13-36-21(15-18)25-28-19(16-37-25)23(32)27-11-14-35-5/h16-18,20-22H,6-15H2,1-5H3,(H,27,32)(H,29,33)/t17-,18-,20+,21+,22-/m0/s1.

What are the key properties of N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide?

N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 537.73 g/mol, XLogP of 2.21, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122193415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).