N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide

C30H30N6O2S — CID 155169292

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

N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (PubChem CID 155169292) has the molecular formula C30H30N6O2S and a molecular weight of 538.68 g/mol. Its IUPAC name is N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 155169292
• Molecular Formula: C30H30N6O2S
• Molecular Weight: 538.68 g/mol
• Exact Mass: 538.22
• IUPAC Name: N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide
• SMILES: CNc1ccccc1C(=O)NCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1
• InChI: InChI=1S/C30H30N6O2S/c1-31-24-11-5-4-10-23(24)29(37)33-15-7-6-12-25(36-30(38)27-18-32-19-39-27)28-34-17-26(35-28)22-14-13-20-8-2-3-9-21(20)16-22/h2-5,8-11,13-14,16-19,25,31H,6-7,12,15H2,1H3,(H,33,37)(H,34,35)(H,36,38)
• InChIKey: DMLMKQIHOFYZPV-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 111.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.68
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide (CID 155169292) is N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is CNc1ccccc1C(=O)NCCCCC(NC(=O)c1cncs1)c1ncc(-c2ccc3ccccc3c2)[nH]1.

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

The InChIKey is DMLMKQIHOFYZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2S/c1-31-24-11-5-4-10-23(24)29(37)33-15-7-6-12-25(36-30(38)27-18-32-19-39-27)28-34-17-26(35-28)22-14-13-20-8-2-3-9-21(20)16-22/h2-5,8-11,13-14,16-19,25,31H,6-7,12,15H2,1H3,(H,33,37)(H,34,35)(H,36,38).

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

N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 538.68 g/mol, XLogP of 5.80, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(methylamino)benzoyl]amino]-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155169292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).