cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone

C21H29N5OS — CID 155985528

About cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone

cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 155985528) has the molecular formula C21H29N5OS and a molecular weight of 399.56 g/mol. Its IUPAC name is cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
• PubChem CID: 155985528
• Molecular Formula: C21H29N5OS
• Molecular Weight: 399.56 g/mol
• Exact Mass: 399.21
• IUPAC Name: cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
• SMILES: Cc1cnc(Nc2ccnc(CC3CCCN(C(=O)C4CCCCC4)C3)n2)s1
• InChI: InChI=1S/C21H29N5OS/c1-15-13-23-21(28-15)25-18-9-10-22-19(24-18)12-16-6-5-11-26(14-16)20(27)17-7-3-2-4-8-17/h9-10,13,16-17H,2-8,11-12,14H2,1H3,(H,22,23,24,25)
• InChIKey: ZKOACSPKOYSVTE-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.56
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?

The IUPAC name of cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone (CID 155985528) is cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?

The canonical SMILES for cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone is Cc1cnc(Nc2ccnc(CC3CCCN(C(=O)C4CCCCC4)C3)n2)s1.

What is the InChIKey of cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?

The InChIKey is ZKOACSPKOYSVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5OS/c1-15-13-23-21(28-15)25-18-9-10-22-19(24-18)12-16-6-5-11-26(14-16)20(27)17-7-3-2-4-8-17/h9-10,13,16-17H,2-8,11-12,14H2,1H3,(H,22,23,24,25).

What are the key properties of cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone?

cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 399.56 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[3-[[4-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 155985528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).