4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide

C23H24N4O3S3 — CID 4643790

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide (PubChem CID 4643790) has the molecular formula C23H24N4O3S3 and a molecular weight of 500.67 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
• PubChem CID: 4643790
• Molecular Formula: C23H24N4O3S3
• Molecular Weight: 500.67 g/mol
• Exact Mass: 500.10
• IUPAC Name: 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide
• SMILES: Cc1nc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)N5CC(C)CC(C)C5)cc4)sc3c2s1
• InChI: InChI=1S/C23H24N4O3S3/c1-13-10-14(2)12-27(11-13)33(29,30)17-6-4-16(5-7-17)22(28)26-23-25-19-9-8-18-20(21(19)32-23)31-15(3)24-18/h4-9,13-14H,10-12H2,1-3H3,(H,25,26,28)
• InChIKey: ZJURAANWYQNJRG-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.67
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?

The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide (CID 4643790) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide.

What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?

The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide is Cc1nc2ccc3nc(NC(=O)c4ccc(S(=O)(=O)N5CC(C)CC(C)C5)cc4)sc3c2s1.

What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?

The InChIKey is ZJURAANWYQNJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S3/c1-13-10-14(2)12-27(11-13)33(29,30)17-6-4-16(5-7-17)22(28)26-23-25-19-9-8-18-20(21(19)32-23)31-15(3)24-18/h4-9,13-14H,10-12H2,1-3H3,(H,25,26,28).

What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide?

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide has a molecular weight of 500.67 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4643790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).