4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride

C26H34ClN3O3S — CID 44935346

About 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride

4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride (PubChem CID 44935346) has the molecular formula C26H34ClN3O3S and a molecular weight of 504.10 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
• PubChem CID: 44935346
• Molecular Formula: C26H34ClN3O3S
• Molecular Weight: 504.10 g/mol
• Exact Mass: 503.20
• IUPAC Name: 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
• SMILES: COc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccc(C(C)(C)C)cc3)sc2c1.Cl
• InChI: InChI=1S/C26H33N3O3S.ClH/c1-26(2,3)20-8-6-19(7-9-20)24(30)29(13-5-12-28-14-16-32-17-15-28)25-27-22-11-10-21(31-4)18-23(22)33-25;/h6-11,18H,5,12-17H2,1-4H3;1H
• InChIKey: GYYZSODNYUAENW-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.10
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?

The IUPAC name of 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride (CID 44935346) is 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride.

What is the SMILES notation for 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?

The canonical SMILES for 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride is COc1ccc2nc(N(CCCN3CCOCC3)C(=O)c3ccc(C(C)(C)C)cc3)sc2c1.Cl.

What is the InChIKey of 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?

The InChIKey is GYYZSODNYUAENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S.ClH/c1-26(2,3)20-8-6-19(7-9-20)24(30)29(13-5-12-28-14-16-32-17-15-28)25-27-22-11-10-21(31-4)18-23(22)33-25;/h6-11,18H,5,12-17H2,1-4H3;1H.

What are the key properties of 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?

4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride has a molecular weight of 504.10 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 44935346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).