N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

C17H18BrCl2N3OS2 — CID 44919475

About N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride

N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (PubChem CID 44919475) has the molecular formula C17H18BrCl2N3OS2 and a molecular weight of 495.30 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
• PubChem CID: 44919475
• Molecular Formula: C17H18BrCl2N3OS2
• Molecular Weight: 495.30 g/mol
• Exact Mass: 492.95
• IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride
• SMILES: CN(C)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2ccc(Br)cc2s1.Cl
• InChI: InChI=1S/C17H17BrClN3OS2.ClH/c1-21(2)7-8-22(16(23)10-12-4-6-15(19)24-12)17-20-13-5-3-11(18)9-14(13)25-17;/h3-6,9H,7-8,10H2,1-2H3;1H
• InChIKey: PDUMXXRUSSCMSS-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.30
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?

The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride (CID 44919475) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride.

What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?

The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is CN(C)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2ccc(Br)cc2s1.Cl.

What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?

The InChIKey is PDUMXXRUSSCMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3OS2.ClH/c1-21(2)7-8-22(16(23)10-12-4-6-15(19)24-12)17-20-13-5-3-11(18)9-14(13)25-17;/h3-6,9H,7-8,10H2,1-2H3;1H.

What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride?

N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride has a molecular weight of 495.30 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 44919475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).