3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C20H23Cl2N3OS — CID 16834566

About 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride

3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 16834566) has the molecular formula C20H23Cl2N3OS and a molecular weight of 424.40 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 16834566
• Molecular Formula: C20H23Cl2N3OS
• Molecular Weight: 424.40 g/mol
• Exact Mass: 423.09
• IUPAC Name: 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: Cc1ccc2sc(N(CCN(C)C)C(=O)c3cccc(Cl)c3)nc2c1C.Cl
• InChI: InChI=1S/C20H22ClN3OS.ClH/c1-13-8-9-17-18(14(13)2)22-20(26-17)24(11-10-23(3)4)19(25)15-6-5-7-16(21)12-15;/h5-9,12H,10-11H2,1-4H3;1H
• InChIKey: DHSBUDSXBNFIEY-UHFFFAOYSA-N
• XLogP: 5.20
• 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	424.40
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 16834566) is 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is Cc1ccc2sc(N(CCN(C)C)C(=O)c3cccc(Cl)c3)nc2c1C.Cl.

What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The InChIKey is DHSBUDSXBNFIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS.ClH/c1-13-8-9-17-18(14(13)2)22-20(26-17)24(11-10-23(3)4)19(25)15-6-5-7-16(21)12-15;/h5-9,12H,10-11H2,1-4H3;1H.

What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 424.40 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2-(dimethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 16834566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).