3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one

C22H27N7OS — CID 135286405

About 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one

3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one (PubChem CID 135286405) has the molecular formula C22H27N7OS and a molecular weight of 437.57 g/mol. Its IUPAC name is 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one.

Molecular Properties

• Compound Name: 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one
• PubChem CID: 135286405
• Molecular Formula: C22H27N7OS
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.20
• IUPAC Name: 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one
• SMILES: Cc1c(-c2ccnc(Nc3ccc(N4CCNCC4)cn3)n2)sc(=O)n1C1CCCC1
• InChI: InChI=1S/C22H27N7OS/c1-15-20(31-22(30)29(15)16-4-2-3-5-16)18-8-9-24-21(26-18)27-19-7-6-17(14-25-19)28-12-10-23-11-13-28/h6-9,14,16,23H,2-5,10-13H2,1H3,(H,24,25,26,27)
• InChIKey: JEGMOLZOGXBMNM-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one?

The IUPAC name of 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one (CID 135286405) is 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one.

What is the SMILES notation for 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one?

The canonical SMILES for 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one is Cc1c(-c2ccnc(Nc3ccc(N4CCNCC4)cn3)n2)sc(=O)n1C1CCCC1.

What is the InChIKey of 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one?

The InChIKey is JEGMOLZOGXBMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7OS/c1-15-20(31-22(30)29(15)16-4-2-3-5-16)18-8-9-24-21(26-18)27-19-7-6-17(14-25-19)28-12-10-23-11-13-28/h6-9,14,16,23H,2-5,10-13H2,1H3,(H,24,25,26,27).

What are the key properties of 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one?

3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one has a molecular weight of 437.57 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one is sourced from PubChem (CID 135286405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).