N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride

C24H26ClN3OS — CID 44929614

About N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride

N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride (PubChem CID 44929614) has the molecular formula C24H26ClN3OS and a molecular weight of 440.01 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride
• PubChem CID: 44929614
• Molecular Formula: C24H26ClN3OS
• Molecular Weight: 440.01 g/mol
• Exact Mass: 439.15
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride
• SMILES: Cc1ccc2nc(N(CCCN(C)C)C(=O)c3cccc4ccccc34)sc2c1.Cl
• InChI: InChI=1S/C24H25N3OS.ClH/c1-17-12-13-21-22(16-17)29-24(25-21)27(15-7-14-26(2)3)23(28)20-11-6-9-18-8-4-5-10-19(18)20;/h4-6,8-13,16H,7,14-15H2,1-3H3;1H
• InChIKey: ASCBUUWCEBUXCA-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.01
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride (CID 44929614) is N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride is Cc1ccc2nc(N(CCCN(C)C)C(=O)c3cccc4ccccc34)sc2c1.Cl.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride?

The InChIKey is ASCBUUWCEBUXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS.ClH/c1-17-12-13-21-22(16-17)29-24(25-21)27(15-7-14-26(2)3)23(28)20-11-6-9-18-8-4-5-10-19(18)20;/h4-6,8-13,16H,7,14-15H2,1-3H3;1H.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride?

N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride has a molecular weight of 440.01 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 44929614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).