(3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone

C24H30N4O3S — CID 155985054

About (3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone

(3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 155985054) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is (3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
• PubChem CID: 155985054
• Molecular Formula: C24H30N4O3S
• Molecular Weight: 454.60 g/mol
• Exact Mass: 454.20
• IUPAC Name: (3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
• SMILES: Cc1cnc(Nc2cccc(C3CN(C(=O)C45CC6CC(CC(O)(C6)C4)C5)CCO3)n2)s1
• InChI: InChI=1S/C24H30N4O3S/c1-15-12-25-22(32-15)27-20-4-2-3-18(26-20)19-13-28(5-6-31-19)21(29)23-8-16-7-17(9-23)11-24(30,10-16)14-23/h2-4,12,16-17,19,30H,5-11,13-14H2,1H3,(H,25,26,27)
• InChIKey: KXRCWFAZBHXASX-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 87.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.60
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone (CID 155985054) is (3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone.

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

The canonical SMILES for (3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone is Cc1cnc(Nc2cccc(C3CN(C(=O)C45CC6CC(CC(O)(C6)C4)C5)CCO3)n2)s1.

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

The InChIKey is KXRCWFAZBHXASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-15-12-25-22(32-15)27-20-4-2-3-18(26-20)19-13-28(5-6-31-19)21(29)23-8-16-7-17(9-23)11-24(30,10-16)14-23/h2-4,12,16-17,19,30H,5-11,13-14H2,1H3,(H,25,26,27).

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

(3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 454.60 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxy-1-adamantyl)-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 155985054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).