N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide

C25H33N3O3S — CID 43964690

About N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide

N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide (PubChem CID 43964690) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide
• PubChem CID: 43964690
• Molecular Formula: C25H33N3O3S
• Molecular Weight: 455.62 g/mol
• Exact Mass: 455.22
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide
• SMILES: CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3c(C)ccc(C)c3s2)cc1OCC
• InChI: InChI=1S/C25H33N3O3S/c1-7-30-20-13-12-19(16-21(20)31-8-2)24(29)28(15-9-14-27(5)6)25-26-22-17(3)10-11-18(4)23(22)32-25/h10-13,16H,7-9,14-15H2,1-6H3
• InChIKey: ZTLUYNQZHYMXNP-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.62
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide (CID 43964690) is N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)N(CCCN(C)C)c2nc3c(C)ccc(C)c3s2)cc1OCC.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide?

The InChIKey is ZTLUYNQZHYMXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-7-30-20-13-12-19(16-21(20)31-8-2)24(29)28(15-9-14-27(5)6)25-26-22-17(3)10-11-18(4)23(22)32-25/h10-13,16H,7-9,14-15H2,1-6H3.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide?

N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide has a molecular weight of 455.62 g/mol, XLogP of 5.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 43964690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).