N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride

C20H23ClFN3O2S — CID 44930842

About N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride

N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (PubChem CID 44930842) has the molecular formula C20H23ClFN3O2S and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• PubChem CID: 44930842
• Molecular Formula: C20H23ClFN3O2S
• Molecular Weight: 423.94 g/mol
• Exact Mass: 423.12
• IUPAC Name: N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
• SMILES: COc1ccc2sc(N(CCCN(C)C)C(=O)c3cccc(F)c3)nc2c1.Cl
• InChI: InChI=1S/C20H22FN3O2S.ClH/c1-23(2)10-5-11-24(19(25)14-6-4-7-15(21)12-14)20-22-17-13-16(26-3)8-9-18(17)27-20;/h4,6-9,12-13H,5,10-11H2,1-3H3;1H
• InChIKey: QBOCGSOCCKGELL-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.94
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The IUPAC name of N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride (CID 44930842) is N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The canonical SMILES for N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is COc1ccc2sc(N(CCCN(C)C)C(=O)c3cccc(F)c3)nc2c1.Cl.

What is the InChIKey of N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

The InChIKey is QBOCGSOCCKGELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S.ClH/c1-23(2)10-5-11-24(19(25)14-6-4-7-15(21)12-14)20-22-17-13-16(26-3)8-9-18(17)27-20;/h4,6-9,12-13H,5,10-11H2,1-3H3;1H.

What are the key properties of N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride?

N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride has a molecular weight of 423.94 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-3-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44930842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).