N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide

C24H31N3O2S — CID 41348257

About N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide

N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 41348257) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
• PubChem CID: 41348257
• Molecular Formula: C24H31N3O2S
• Molecular Weight: 425.60 g/mol
• Exact Mass: 425.21
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
• SMILES: Cc1ccc2sc(N(CCCN(C)C)C(=O)c3ccc(OC(C)C)cc3)nc2c1C
• InChI: InChI=1S/C24H31N3O2S/c1-16(2)29-20-11-9-19(10-12-20)23(28)27(15-7-14-26(5)6)24-25-22-18(4)17(3)8-13-21(22)30-24/h8-13,16H,7,14-15H2,1-6H3
• InChIKey: FPULTYSIFFSYDV-UHFFFAOYSA-N
• XLogP: 5.30
• 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	425.60
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (CID 41348257) is N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is Cc1ccc2sc(N(CCCN(C)C)C(=O)c3ccc(OC(C)C)cc3)nc2c1C.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?

The InChIKey is FPULTYSIFFSYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-16(2)29-20-11-9-19(10-12-20)23(28)27(15-7-14-26(5)6)24-25-22-18(4)17(3)8-13-21(22)30-24/h8-13,16H,7,14-15H2,1-6H3.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?

N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 425.60 g/mol, XLogP of 5.30, 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-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 41348257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).