cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone

C22H30N4O2S — CID 155985226

About cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone

cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 155985226) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
• PubChem CID: 155985226
• Molecular Formula: C22H30N4O2S
• Molecular Weight: 414.58 g/mol
• Exact Mass: 414.21
• IUPAC Name: cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
• SMILES: CC(C)c1cnc(Nc2cccc(C3CN(C(=O)C4CCCCC4)CCO3)n2)s1
• InChI: InChI=1S/C22H30N4O2S/c1-15(2)19-13-23-22(29-19)25-20-10-6-9-17(24-20)18-14-26(11-12-28-18)21(27)16-7-4-3-5-8-16/h6,9-10,13,15-16,18H,3-5,7-8,11-12,14H2,1-2H3,(H,23,24,25)
• InChIKey: RABJDTTXSIJXQD-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.58
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone (CID 155985226) is cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone.

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

The canonical SMILES for cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone is CC(C)c1cnc(Nc2cccc(C3CN(C(=O)C4CCCCC4)CCO3)n2)s1.

What is the InChIKey of cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone?

The InChIKey is RABJDTTXSIJXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-15(2)19-13-23-22(29-19)25-20-10-6-9-17(24-20)18-14-26(11-12-28-18)21(27)16-7-4-3-5-8-16/h6,9-10,13,15-16,18H,3-5,7-8,11-12,14H2,1-2H3,(H,23,24,25).

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

cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 414.58 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[2-[6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 155985226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).