N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide

C28H26N6O3S — CID 162665019

About N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide

N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (PubChem CID 162665019) has the molecular formula C28H26N6O3S and a molecular weight of 526.62 g/mol. Its IUPAC name is N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 162665019
• Molecular Formula: C28H26N6O3S
• Molecular Weight: 526.62 g/mol
• Exact Mass: 526.18
• IUPAC Name: N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
• SMILES: O=C(N[C@@H](CCCCNC(=O)c1ncccc1O)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1
• InChI: InChI=1S/C28H26N6O3S/c35-23-9-5-13-30-25(23)28(37)31-12-4-3-8-21(34-27(36)24-16-29-17-38-24)26-32-15-22(33-26)20-11-10-18-6-1-2-7-19(18)14-20/h1-2,5-7,9-11,13-17,21,35H,3-4,8,12H2,(H,31,37)(H,32,33)(H,34,36)/t21-/m0/s1
• InChIKey: RHDGWSUWHOVZFS-NRFANRHFSA-N
• XLogP: 4.86
• TPSA: 132.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.62
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (CID 162665019) is N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is O=C(N[C@@H](CCCCNC(=O)c1ncccc1O)c1ncc(-c2ccc3ccccc3c2)[nH]1)c1cncs1.

What is the InChIKey of N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?

The InChIKey is RHDGWSUWHOVZFS-NRFANRHFSA-N. The full InChI is InChI=1S/C28H26N6O3S/c35-23-9-5-13-30-25(23)28(37)31-12-4-3-8-21(34-27(36)24-16-29-17-38-24)26-32-15-22(33-26)20-11-10-18-6-1-2-7-19(18)14-20/h1-2,5-7,9-11,13-17,21,35H,3-4,8,12H2,(H,31,37)(H,32,33)(H,34,36)/t21-/m0/s1.

What are the key properties of N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide?

N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 526.62 g/mol, XLogP of 4.86, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-5-[(3-hydroxypyridine-2-carbonyl)amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162665019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).