N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride

C19H24Cl2N4O3S — CID 44932473

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride (PubChem CID 44932473) has the molecular formula C19H24Cl2N4O3S and a molecular weight of 459.40 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride
• PubChem CID: 44932473
• Molecular Formula: C19H24Cl2N4O3S
• Molecular Weight: 459.40 g/mol
• Exact Mass: 458.09
• IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride
• SMILES: Cc1cc(Cl)cc2sc(N(CCCN(C)C)C(=O)CN3C(=O)CCC3=O)nc12.Cl
• InChI: InChI=1S/C19H23ClN4O3S.ClH/c1-12-9-13(20)10-14-18(12)21-19(28-14)23(8-4-7-22(2)3)17(27)11-24-15(25)5-6-16(24)26;/h9-10H,4-8,11H2,1-3H3;1H
• InChIKey: OLMZYAXJXWVIFK-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 73.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.40
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride?

The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride (CID 44932473) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride.

What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride?

The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride is Cc1cc(Cl)cc2sc(N(CCCN(C)C)C(=O)CN3C(=O)CCC3=O)nc12.Cl.

What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride?

The InChIKey is OLMZYAXJXWVIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S.ClH/c1-12-9-13(20)10-14-18(12)21-19(28-14)23(8-4-7-22(2)3)17(27)11-24-15(25)5-6-16(24)26;/h9-10H,4-8,11H2,1-3H3;1H.

What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride?

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride has a molecular weight of 459.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 44932473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).