N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride

C23H25ClN4OS — CID 18589940

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride (PubChem CID 18589940) has the molecular formula C23H25ClN4OS and a molecular weight of 441.00 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride
• PubChem CID: 18589940
• Molecular Formula: C23H25ClN4OS
• Molecular Weight: 441.00 g/mol
• Exact Mass: 440.14
• IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride
• SMILES: Cc1cc(C)c2sc(N(CCCn3ccnc3)C(=O)Cc3ccccc3)nc2c1.Cl
• InChI: InChI=1S/C23H24N4OS.ClH/c1-17-13-18(2)22-20(14-17)25-23(29-22)27(11-6-10-26-12-9-24-16-26)21(28)15-19-7-4-3-5-8-19;/h3-5,7-9,12-14,16H,6,10-11,15H2,1-2H3;1H
• InChIKey: CWWUHGUHOFDSAM-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.00
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride?

The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride (CID 18589940) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride.

What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride?

The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride is Cc1cc(C)c2sc(N(CCCn3ccnc3)C(=O)Cc3ccccc3)nc2c1.Cl.

What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride?

The InChIKey is CWWUHGUHOFDSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS.ClH/c1-17-13-18(2)22-20(14-17)25-23(29-22)27(11-6-10-26-12-9-24-16-26)21(28)15-19-7-4-3-5-8-19;/h3-5,7-9,12-14,16H,6,10-11,15H2,1-2H3;1H.

What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride?

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride has a molecular weight of 441.00 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 18589940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).