2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride

C17H18Cl2FN3OS2 — CID 44919493

About 2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride

2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride (PubChem CID 44919493) has the molecular formula C17H18Cl2FN3OS2 and a molecular weight of 434.39 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• PubChem CID: 44919493
• Molecular Formula: C17H18Cl2FN3OS2
• Molecular Weight: 434.39 g/mol
• Exact Mass: 433.03
• IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride
• SMILES: CN(C)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2c(F)cccc2s1.Cl
• InChI: InChI=1S/C17H17ClFN3OS2.ClH/c1-21(2)8-9-22(15(23)10-11-6-7-14(18)24-11)17-20-16-12(19)4-3-5-13(16)25-17;/h3-7H,8-10H2,1-2H3;1H
• InChIKey: JOQGTVJBYCWHRA-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 36.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.39
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride (CID 44919493) is 2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride.

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

The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride is CN(C)CCN(C(=O)Cc1ccc(Cl)s1)c1nc2c(F)cccc2s1.Cl.

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

The InChIKey is JOQGTVJBYCWHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3OS2.ClH/c1-21(2)8-9-22(15(23)10-11-6-7-14(18)24-11)17-20-16-12(19)4-3-5-13(16)25-17;/h3-7H,8-10H2,1-2H3;1H.

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

2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride has a molecular weight of 434.39 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 44919493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).