2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide

C29H29N7O3S2 — CID 135327749

About 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide

2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide (PubChem CID 135327749) has the molecular formula C29H29N7O3S2 and a molecular weight of 587.73 g/mol. Its IUPAC name is 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide
• PubChem CID: 135327749
• Molecular Formula: C29H29N7O3S2
• Molecular Weight: 587.73 g/mol
• Exact Mass: 587.18
• IUPAC Name: 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide
• SMILES: Cc1ncc(S(=O)(=O)Nc2cccc3c(Oc4ncccc4-c4ccnc(NC5CCCNC5)n4)c(C)ccc23)s1
• InChI: InChI=1S/C29H29N7O3S2/c1-18-10-11-21-22(7-3-9-25(21)36-41(37,38)26-17-33-19(2)40-26)27(18)39-28-23(8-5-14-31-28)24-12-15-32-29(35-24)34-20-6-4-13-30-16-20/h3,5,7-12,14-15,17,20,30,36H,4,6,13,16H2,1-2H3,(H,32,34,35)
• InChIKey: OMDQJXIYNCYFLN-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 131.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.73
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide?

The IUPAC name of 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide (CID 135327749) is 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide?

The canonical SMILES for 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2cccc3c(Oc4ncccc4-c4ccnc(NC5CCCNC5)n4)c(C)ccc23)s1.

What is the InChIKey of 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide?

The InChIKey is OMDQJXIYNCYFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N7O3S2/c1-18-10-11-21-22(7-3-9-25(21)36-41(37,38)26-17-33-19(2)40-26)27(18)39-28-23(8-5-14-31-28)24-12-15-32-29(35-24)34-20-6-4-13-30-16-20/h3,5,7-12,14-15,17,20,30,36H,4,6,13,16H2,1-2H3,(H,32,34,35).

What are the key properties of 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide?

2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide has a molecular weight of 587.73 g/mol, XLogP of 5.52, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 135327749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).