7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C23H30N6OS — CID 166944230

About 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 166944230) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• PubChem CID: 166944230
• Molecular Formula: C23H30N6OS
• Molecular Weight: 438.60 g/mol
• Exact Mass: 438.22
• IUPAC Name: 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
• SMILES: Cc1ccc(Nc2ncnc3sc(C(=O)NCC4CCNCC4)nc23)c(CC(C)C)c1
• InChI: InChI=1S/C23H30N6OS/c1-14(2)10-17-11-15(3)4-5-18(17)28-20-19-22(27-13-26-20)31-23(29-19)21(30)25-12-16-6-8-24-9-7-16/h4-5,11,13-14,16,24H,6-10,12H2,1-3H3,(H,25,30)(H,26,27,28)
• InChIKey: SIIANUOXIAOKLY-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 91.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.60
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The IUPAC name of 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 166944230) is 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The canonical SMILES for 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is Cc1ccc(Nc2ncnc3sc(C(=O)NCC4CCNCC4)nc23)c(CC(C)C)c1.

What is the InChIKey of 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

The InChIKey is SIIANUOXIAOKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-14(2)10-17-11-15(3)4-5-18(17)28-20-19-22(27-13-26-20)31-23(29-19)21(30)25-12-16-6-8-24-9-7-16/h4-5,11,13-14,16,24H,6-10,12H2,1-3H3,(H,25,30)(H,26,27,28).

What are the key properties of 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?

7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 166944230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).