cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone

C20H27N5OS — CID 155985119

About cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone

cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 155985119) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 155985119
• Molecular Formula: C20H27N5OS
• Molecular Weight: 385.54 g/mol
• Exact Mass: 385.19
• IUPAC Name: cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cnc(Nc2cncc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1
• InChI: InChI=1S/C20H27N5OS/c1-14-11-22-20(27-14)24-18-13-21-12-17(23-18)15-7-9-25(10-8-15)19(26)16-5-3-2-4-6-16/h11-13,15-16H,2-10H2,1H3,(H,22,23,24)
• InChIKey: XMVXXPVGCMNMGP-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.54
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone (CID 155985119) is cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cnc(Nc2cncc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1.

What is the InChIKey of cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is XMVXXPVGCMNMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-14-11-22-20(27-14)24-18-13-21-12-17(23-18)15-7-9-25(10-8-15)19(26)16-5-3-2-4-6-16/h11-13,15-16H,2-10H2,1H3,(H,22,23,24).

What are the key properties of cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone?

cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 385.54 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 155985119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).