N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride

C24H30ClN3O4S — CID 44899787

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride (PubChem CID 44899787) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
• PubChem CID: 44899787
• Molecular Formula: C24H30ClN3O4S
• Molecular Weight: 492.04 g/mol
• Exact Mass: 491.16
• IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
• SMILES: COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3cccc(C)c3)nc12.Cl
• InChI: InChI=1S/C24H29N3O4S.ClH/c1-17-6-4-7-18(16-17)23(28)27(11-5-10-26-12-14-31-15-13-26)24-25-21-19(29-2)8-9-20(30-3)22(21)32-24;/h4,6-9,16H,5,10-15H2,1-3H3;1H
• InChIKey: GGINOJUBDUUFJT-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.04
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?

The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride (CID 44899787) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride.

What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?

The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride is COc1ccc(OC)c2sc(N(CCCN3CCOCC3)C(=O)c3cccc(C)c3)nc12.Cl.

What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?

The InChIKey is GGINOJUBDUUFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S.ClH/c1-17-6-4-7-18(16-17)23(28)27(11-5-10-26-12-14-31-15-13-26)24-25-21-19(29-2)8-9-20(30-3)22(21)32-24;/h4,6-9,16H,5,10-15H2,1-3H3;1H.

What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride has a molecular weight of 492.04 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 44899787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).