N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride

C24H24Cl2N4O4S — CID 44903424

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride (PubChem CID 44903424) has the molecular formula C24H24Cl2N4O4S and a molecular weight of 535.45 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
• PubChem CID: 44903424
• Molecular Formula: C24H24Cl2N4O4S
• Molecular Weight: 535.45 g/mol
• Exact Mass: 534.09
• IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
• SMILES: Cc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)CN3C(=O)c4ccccc4C3=O)nc12.Cl
• InChI: InChI=1S/C24H23ClN4O4S.ClH/c1-15-12-16(25)13-19-21(15)26-24(34-19)28(7-6-27-8-10-33-11-9-27)20(30)14-29-22(31)17-4-2-3-5-18(17)23(29)32;/h2-5,12-13H,6-11,14H2,1H3;1H
• InChIKey: HNUGYIOZAWYOCU-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.45
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?

The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride (CID 44903424) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride.

What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?

The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride is Cc1cc(Cl)cc2sc(N(CCN3CCOCC3)C(=O)CN3C(=O)c4ccccc4C3=O)nc12.Cl.

What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?

The InChIKey is HNUGYIOZAWYOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4S.ClH/c1-15-12-16(25)13-19-21(15)26-24(34-19)28(7-6-27-8-10-33-11-9-27)20(30)14-29-22(31)17-4-2-3-5-18(17)23(29)32;/h2-5,12-13H,6-11,14H2,1H3;1H.

What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride has a molecular weight of 535.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 44903424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).