4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide

C26H29FN4O2S — CID 167633099

About 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide

4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide (PubChem CID 167633099) has the molecular formula C26H29FN4O2S and a molecular weight of 480.61 g/mol. Its IUPAC name is 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide
• PubChem CID: 167633099
• Molecular Formula: C26H29FN4O2S
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.20
• IUPAC Name: 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide
• SMILES: CCN(CC)CCCCC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C(=O)NC)cc3F)cn12
• InChI: InChI=1S/C26H29FN4O2S/c1-4-30(5-2)13-7-6-8-23(32)17-10-12-22-24(15-17)34-26-29-21(16-31(22)26)19-11-9-18(14-20(19)27)25(33)28-3/h9-12,14-16H,4-8,13H2,1-3H3,(H,28,33)
• InChIKey: OBYFFLPKVJAYOD-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 66.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
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 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide?

The IUPAC name of 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide (CID 167633099) is 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide.

What is the SMILES notation for 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide?

The canonical SMILES for 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide is CCN(CC)CCCCC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C(=O)NC)cc3F)cn12.

What is the InChIKey of 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide?

The InChIKey is OBYFFLPKVJAYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2S/c1-4-30(5-2)13-7-6-8-23(32)17-10-12-22-24(15-17)34-26-29-21(16-31(22)26)19-11-9-18(14-20(19)27)25(33)28-3/h9-12,14-16H,4-8,13H2,1-3H3,(H,28,33).

What are the key properties of 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide?

4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide has a molecular weight of 480.61 g/mol, XLogP of 5.41, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[5-(diethylamino)pentanoyl]imidazo[2,1-b][1,3]benzothiazol-2-yl]-3-fluoro-N-methylbenzamide is sourced from PubChem (CID 167633099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).