2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C20H22Cl3N3OS — CID 44930171

About 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44930171) has the molecular formula C20H22Cl3N3OS and a molecular weight of 458.84 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44930171
• Molecular Formula: C20H22Cl3N3OS
• Molecular Weight: 458.84 g/mol
• Exact Mass: 457.05
• IUPAC Name: 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(Cl)cc3Cl)nc12.Cl
• InChI: InChI=1S/C20H21Cl2N3OS.ClH/c1-13-6-4-7-17-18(13)23-20(27-17)25(11-5-10-24(2)3)19(26)15-9-8-14(21)12-16(15)22;/h4,6-9,12H,5,10-11H2,1-3H3;1H
• InChIKey: DGYSRSYJECWZDL-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.84
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The IUPAC name of 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44930171) is 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

What is the SMILES notation for 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The canonical SMILES for 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(Cl)cc3Cl)nc12.Cl.

What is the InChIKey of 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The InChIKey is DGYSRSYJECWZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3OS.ClH/c1-13-6-4-7-17-18(13)23-20(27-17)25(11-5-10-24(2)3)19(26)15-9-8-14(21)12-16(15)22;/h4,6-9,12H,5,10-11H2,1-3H3;1H.

What are the key properties of 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 458.84 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44930171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).