N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride

C22H27ClFN3O2S — CID 16808808

About N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride (PubChem CID 16808808) has the molecular formula C22H27ClFN3O2S and a molecular weight of 452.00 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride
• PubChem CID: 16808808
• Molecular Formula: C22H27ClFN3O2S
• Molecular Weight: 452.00 g/mol
• Exact Mass: 451.15
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride
• SMILES: CC(C)Oc1ccc(C(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)cc1.Cl
• InChI: InChI=1S/C22H26FN3O2S.ClH/c1-15(2)28-17-11-9-16(10-12-17)21(27)26(14-6-13-25(3)4)22-24-20-18(23)7-5-8-19(20)29-22;/h5,7-12,15H,6,13-14H2,1-4H3;1H
• InChIKey: GIWSPBADNARMFM-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.00
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride (CID 16808808) is N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride is CC(C)Oc1ccc(C(=O)N(CCCN(C)C)c2nc3c(F)cccc3s2)cc1.Cl.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride?

The InChIKey is GIWSPBADNARMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2S.ClH/c1-15(2)28-17-11-9-16(10-12-17)21(27)26(14-6-13-25(3)4)22-24-20-18(23)7-5-8-19(20)29-22;/h5,7-12,15H,6,13-14H2,1-4H3;1H.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride?

N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride has a molecular weight of 452.00 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide;hydrochloride is sourced from PubChem (CID 16808808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).