4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride

C19H20Cl3N3OS — CID 44928985

About 4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride

4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride (PubChem CID 44928985) has the molecular formula C19H20Cl3N3OS and a molecular weight of 444.82 g/mol. Its IUPAC name is 4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
• PubChem CID: 44928985
• Molecular Formula: C19H20Cl3N3OS
• Molecular Weight: 444.82 g/mol
• Exact Mass: 443.04
• IUPAC Name: 4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
• SMILES: Cc1cc(Cl)cc2sc(N(CCN(C)C)C(=O)c3ccc(Cl)cc3)nc12.Cl
• InChI: InChI=1S/C19H19Cl2N3OS.ClH/c1-12-10-15(21)11-16-17(12)22-19(26-16)24(9-8-23(2)3)18(25)13-4-6-14(20)7-5-13;/h4-7,10-11H,8-9H2,1-3H3;1H
• InChIKey: CAVGFFRJDGCTQN-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.82
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?

The IUPAC name of 4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride (CID 44928985) is 4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride.

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

The canonical SMILES for 4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride is Cc1cc(Cl)cc2sc(N(CCN(C)C)C(=O)c3ccc(Cl)cc3)nc12.Cl.

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

The InChIKey is CAVGFFRJDGCTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3OS.ClH/c1-12-10-15(21)11-16-17(12)22-19(26-16)24(9-8-23(2)3)18(25)13-4-6-14(20)7-5-13;/h4-7,10-11H,8-9H2,1-3H3;1H.

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

4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 444.82 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 44928985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).