3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

C19H18Cl2FN3OS — CID 41347064

About 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41347064) has the molecular formula C19H18Cl2FN3OS and a molecular weight of 426.34 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 41347064
• Molecular Formula: C19H18Cl2FN3OS
• Molecular Weight: 426.34 g/mol
• Exact Mass: 425.05
• IUPAC Name: 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
• SMILES: CN(C)CCCN(C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccc(F)cc2s1
• InChI: InChI=1S/C19H18Cl2FN3OS/c1-24(2)6-3-7-25(18(26)12-8-13(20)10-14(21)9-12)19-23-16-5-4-15(22)11-17(16)27-19/h4-5,8-11H,3,6-7H2,1-2H3
• InChIKey: LKQZKBQUQTUKSA-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.34
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?

The IUPAC name of 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 41347064) is 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

What is the SMILES notation for 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?

The canonical SMILES for 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is CN(C)CCCN(C(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccc(F)cc2s1.

What is the InChIKey of 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?

The InChIKey is LKQZKBQUQTUKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN3OS/c1-24(2)6-3-7-25(18(26)12-8-13(20)10-14(21)9-12)19-23-16-5-4-15(22)11-17(16)27-19/h4-5,8-11H,3,6-7H2,1-2H3.

What are the key properties of 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?

3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 426.34 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41347064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).