2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride

C19H19Cl4N3O2S — CID 44938572

About 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride

2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride (PubChem CID 44938572) has the molecular formula C19H19Cl4N3O2S and a molecular weight of 495.26 g/mol. Its IUPAC name is 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
• PubChem CID: 44938572
• Molecular Formula: C19H19Cl4N3O2S
• Molecular Weight: 495.26 g/mol
• Exact Mass: 493.00
• IUPAC Name: 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
• SMILES: COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccc(Cl)cc3Cl)nc12.Cl
• InChI: InChI=1S/C19H18Cl3N3O2S.ClH/c1-24(2)8-9-25(18(26)12-5-4-11(20)10-14(12)22)19-23-16-15(27-3)7-6-13(21)17(16)28-19;/h4-7,10H,8-9H2,1-3H3;1H
• InChIKey: BRFSZWSRFIWNAK-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.26
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?

The IUPAC name of 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride (CID 44938572) is 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride.

What is the SMILES notation for 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?

The canonical SMILES for 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride is COc1ccc(Cl)c2sc(N(CCN(C)C)C(=O)c3ccc(Cl)cc3Cl)nc12.Cl.

What is the InChIKey of 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?

The InChIKey is BRFSZWSRFIWNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O2S.ClH/c1-24(2)8-9-25(18(26)12-5-4-11(20)10-14(12)22)19-23-16-15(27-3)7-6-13(21)17(16)28-19;/h4-7,10H,8-9H2,1-3H3;1H.

What are the key properties of 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride?

2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride has a molecular weight of 495.26 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 44938572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).