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

C22H27N3O3S — CID 7208540

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

N-[3-(dimethylamino)propyl]-3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7208540) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
• PubChem CID: 7208540
• Molecular Formula: C22H27N3O3S
• Molecular Weight: 413.54 g/mol
• Exact Mass: 413.18
• IUPAC Name: N-[3-(dimethylamino)propyl]-3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
• SMILES: COc1cc(OC)cc(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)c1
• InChI: InChI=1S/C22H27N3O3S/c1-15-7-8-19-20(11-15)29-22(23-19)25(10-6-9-24(2)3)21(26)16-12-17(27-4)14-18(13-16)28-5/h7-8,11-14H,6,9-10H2,1-5H3
• InChIKey: LFIUGIQCZYOHGV-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.54
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[3-(dimethylamino)propyl]-3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 7208540) is N-[3-(dimethylamino)propyl]-3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

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

The canonical SMILES for N-[3-(dimethylamino)propyl]-3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is COc1cc(OC)cc(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)c1.

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

The InChIKey is LFIUGIQCZYOHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-15-7-8-19-20(11-15)29-22(23-19)25(10-6-9-24(2)3)21(26)16-12-17(27-4)14-18(13-16)28-5/h7-8,11-14H,6,9-10H2,1-5H3.

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

N-[3-(dimethylamino)propyl]-3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 413.54 g/mol, XLogP of 4.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-3,5-dimethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7208540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).