N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide

C17H16N6O3S — CID 88569820

About N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide

N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide (PubChem CID 88569820) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
• PubChem CID: 88569820
• Molecular Formula: C17H16N6O3S
• Molecular Weight: 384.42 g/mol
• Exact Mass: 384.10
• IUPAC Name: N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide
• SMILES: COc1cc2nc(NC(=O)Cn3cnc4ncn(C)c(=O)c43)sc2cc1C
• InChI: InChI=1S/C17H16N6O3S/c1-9-4-12-10(5-11(9)26-3)20-17(27-12)21-13(24)6-23-8-19-15-14(23)16(25)22(2)7-18-15/h4-5,7-8H,6H2,1-3H3,(H,20,21,24)
• InChIKey: HNZSNJLDIDMZAA-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 103.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.42
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide?

The IUPAC name of N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide (CID 88569820) is N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide.

What is the SMILES notation for N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide?

The canonical SMILES for N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide is COc1cc2nc(NC(=O)Cn3cnc4ncn(C)c(=O)c43)sc2cc1C.

What is the InChIKey of N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide?

The InChIKey is HNZSNJLDIDMZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-9-4-12-10(5-11(9)26-3)20-17(27-12)21-13(24)6-23-8-19-15-14(23)16(25)22(2)7-18-15/h4-5,7-8H,6H2,1-3H3,(H,20,21,24).

What are the key properties of N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide?

N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide has a molecular weight of 384.42 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methoxy-6-methyl-1,3-benzothiazol-2-yl)-2-(1-methyl-6-oxopurin-7-yl)acetamide is sourced from PubChem (CID 88569820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).